 Entering Gaussian System, Link 0=g16
 Input=24_bromohexahelicene_STD_B3LYPDBJ-def2SVPDr.in
 Output=24_bromohexahelicene_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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                616.49374031            -0.43647161872D-01
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            ****
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                885.61225996             0.10071576809D-01
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               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
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            ****
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/24_bromohexahelicene_STD/Gau-14127.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/24_bromohexahelicene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14129.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=24_bromohexahelicene_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "24_bromohexahelicene_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  H                                                -0.652976000000      0.269100000000      2.131879000000
  C                                                 0.077118000000     -0.515898000000      2.016272000000
  C                                                 1.147355000000     -0.563978000000      2.876118000000
  H                                                 1.246861000000      0.187890000000      3.648057000000
  C                                                 2.106939000000     -1.581823000000      2.761904000000
  H                                                 2.960929000000     -1.600767000000      3.426187000000
  C                                                 1.931710000000     -2.571919000000      1.827980000000
  H                                                 2.635140000000     -3.392515000000      1.758710000000
  C                                                 0.821522000000     -2.563238000000      0.958527000000
  C                                                 0.572868000000     -3.662981000000      0.087518000000
  C                                                -0.095253000000     -1.476611000000      0.997501000000
  C                                                -1.192690000000     -1.441893000000      0.051784000000
  C                                                -1.506727000000     -2.642536000000     -0.624596000000
  C                                                -0.579615000000     -3.726610000000     -0.622566000000
  C                                                -2.035643000000     -0.291576000000     -0.177518000000
  C                                                -3.356973000000     -0.534957000000     -0.639268000000
  C                                                -3.692510000000     -1.798848000000     -1.190783000000
  C                                                -2.761886000000     -2.786096000000     -1.271742000000
  C                                                -1.648813000000      1.086948000000      0.014540000000
  C                                                -2.666637000000      2.048502000000      0.208501000000
  C                                                -4.021272000000      1.709542000000     -0.047099000000
  C                                                -4.337685000000      0.487361000000     -0.549941000000
  C                                                -0.287114000000      1.573400000000     -0.077792000000
  C                                                -2.332234000000      3.372974000000      0.618459000000
  C                                                -1.040913000000      3.763875000000      0.750029000000
  C                                                 0.014713000000      2.893138000000      0.356628000000
  C                                                 1.350986000000      3.343894000000      0.332494000000
  C                                                 2.364583000000      2.558938000000     -0.156390000000
  C                                                 2.037889000000      1.298263000000     -0.674090000000
  C                                                 0.755945000000      0.815557000000     -0.650086000000
  H                                                 1.288903000000     -4.474696000000      0.057484000000
  H                                                -0.817831000000     -4.602750000000     -1.212841000000
  H                                                -4.691768000000     -1.942773000000     -1.582177000000
  H                                                -2.987639000000     -3.723712000000     -1.763936000000
  H                                                -4.781726000000      2.467364000000      0.093003000000
  H                                                -5.350606000000      0.258294000000     -0.856644000000
  H                                                -3.141496000000      4.061419000000      0.827867000000
  H                                                -0.794276000000      4.761695000000      1.090549000000
  H                                                 1.568632000000      4.342013000000      0.692153000000
  H                                                 3.386563000000      2.908506000000     -0.172645000000
  Br                                                3.423691000000      0.224870000000     -1.431958000000
  H                                                 0.548148000000     -0.150081000000     -1.077456000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     42 NQM=       42 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=           1          12          12           1          12           1          12           1          12          12
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000   1.0078250  12.0000000  12.0000000
 NucSpn=           1           0           0           1           0           1           0           1           0           0
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   1.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42
 IAtWgt=          79           1
 AtmWgt=  78.9183361   1.0078250
 NucSpn=           3           1
 AtZEff=  24.5000000   1.0000000
 NQMom=   31.3000000   0.0000000
 NMagM=    2.1063990   2.7928460
 AtZNuc=  35.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534957   -0.639268
     17          6           0       -3.692510   -1.798848   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709542   -0.047099
     22          6           0       -4.337685    0.487361   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332234    3.372974    0.618459
     25          6           0       -1.040913    3.763875    0.750029
     26          6           0        0.014713    2.893138    0.356628
     27          6           0        1.350986    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288903   -4.474696    0.057484
     32          1           0       -0.817831   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942773   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467364    0.093003
     36          1           0       -5.350606    0.258294   -0.856644
     37          1           0       -3.141496    4.061419    0.827867
     38          1           0       -0.794276    4.761695    1.090549
     39          1           0        1.568632    4.342013    0.692153
     40          1           0        3.386563    2.908506   -0.172645
     41         35           0        3.423691    0.224870   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  H    0.000000
     2  C    1.078250   0.000000
     3  C    2.118750   1.373701   0.000000
     4  H    2.432030   2.127519   1.082172   0.000000
     5  C    3.382304   2.410879   1.403515   2.157982   0.000000
     6  H    4.269888   3.388387   2.160222   2.487277   1.082095
     7  C    3.852836   2.775282   2.397005   3.376129   1.372301
     8  H    4.935422   3.858075   3.385665   4.279749   2.136352
     9  C    3.401917   2.421686   2.789330   3.870813   2.422321
    10  C    4.598192   3.724244   4.208342   5.287808   3.719803
    11  C    2.155313   1.410878   2.430262   3.405478   2.823798
    12  C    2.746923   2.515769   3.771393   4.641205   4.272222
    13  C    4.099350   3.742371   4.859995   5.818000   5.064788
    14  C    4.853663   4.207545   5.022495   6.074335   4.824139
    15  C    2.749444   3.053980   4.419318   5.063570   5.240794
    16  C    3.954411   4.341110   5.713821   6.332373   6.520601
    17  C    4.955326   5.112852   6.441186   7.194365   7.021712
    18  C    5.036503   4.901508   6.117574   7.008500   6.436306
    19  C    2.478647   3.091098   4.328134   4.732407   5.364329
    20  C    3.304616   4.168018   5.337393   5.532440   6.518140
    21  C    4.262421   5.099694   6.358364   6.612324   7.501903
    22  C    4.562552   5.204081   6.552012   6.992855   7.535451
    23  C    2.591853   2.980425   3.918121   4.260830   4.873479
    24  C    3.839841   4.783533   5.718755   5.668611   6.989322
    25  C    3.778023   4.601067   5.295194   5.140053   6.521741
    26  C    3.237731   3.792076   4.425196   4.435094   5.494364
    27  C    4.087543   4.399528   4.667221   4.578664   5.544023
    28  C    4.425516   4.405403   4.519995   4.620064   5.072349
    29  C    4.021616   3.791286   4.106698   4.532064   4.483940
    30  C    3.165913   3.056639   3.806630   4.371384   4.383411
    31  H    5.529702   4.580104   4.822701   5.885040   4.043734
    32  H    5.911789   5.284928   6.073979   7.130324   5.786093
    33  H    5.915948   6.142237   7.474813   8.195266   8.076122
    34  H    6.047361   5.828617   6.972245   7.907040   7.143223
    35  H    5.102544   6.017240   7.217255   7.360589   8.424527
    36  H    5.567685   6.189766   7.538776   7.988984   8.490871
    37  H    4.719625   5.720456   6.632034   6.497336   7.945612
    38  H    4.613864   5.428561   5.943146   5.623769   7.172914
    39  H    4.857672   5.251400   5.386643   5.108585   6.298053
    40  H    5.347445   5.241214   5.134896   5.155370   5.514714
    41  Br   5.414989   4.861952   4.935940   5.526890   4.752521
    42  H    3.452281   3.150689   4.020088   4.788830   4.384108
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.134641   0.000000
     8  H    2.469206   1.083047   0.000000
     9  C    3.404814   1.410156   2.148768   0.000000
    10  C    4.593721   2.462940   2.668145   1.424753   0.000000
    11  C    3.905660   2.449076   3.421282   1.422235   2.460624
    12  C    5.353913   3.767454   4.622857   2.477226   2.837552
    13  C    6.119974   4.224093   4.837115   2.816613   2.423454
    14  C    5.783343   3.693946   4.014567   2.411737   1.355170
    15  C    6.298127   4.996186   5.931359   3.822884   4.270942
    16  C    7.588133   6.181156   7.058424   4.911893   5.075077
    17  C    8.100858   6.429807   7.160896   5.057698   4.827266
    18  C    7.498410   5.628853   6.219266   4.226651   3.706359
    19  C    6.333472   5.431024   6.438942   4.507496   5.244332
    20  C    7.439097   6.716829   7.753493   5.830775   6.567349
    21  C    8.471894   7.568674   8.579030   6.536099   7.070237
    22  C    8.569693   7.370144   8.306840   6.180538   6.461054
    23  C    5.736113   5.073344   6.047530   4.406223   5.309104
    24  C    7.787105   7.415249   8.470349   6.730560   7.630608
    25  C    7.208047   7.081013   8.108312   6.598825   7.628984
    26  C    6.188503   5.975500   6.952834   5.548447   6.585336
    27  C    6.050828   6.129483   7.004452   5.963762   7.054203
    28  C    5.522104   5.518224   6.257843   5.464500   6.479353
    29  C    5.105747   4.609765   5.317765   4.365338   5.228793
    30  C    5.226526   4.358696   5.200148   3.742752   4.542563
    31  H    4.733212   2.677390   2.424384   2.164254   1.082815
    32  H    6.694140   4.575024   4.713575   3.400283   2.123239
    33  H    9.152292   7.476326   8.182106   6.102173   5.784755
    34  H    8.174945   6.199071   6.643370   4.823714   4.013574
    35  H    9.359942   8.571741   9.598055   7.579741   8.139585
    36  H    9.533119   8.261322   9.161911   7.025030   7.166267
    37  H    8.720734   8.410637   9.476134   7.720665   8.602963
    38  H    7.748399   7.858543   8.871216   7.502191   8.593621
    39  H    6.688054   7.016009   7.880222   6.950656   8.089318
    40  H    5.785006   6.012833   6.633071   6.148087   7.153251
    41  Br   5.210439   4.547003   4.887499   4.501027   5.054838
    42  H    5.311196   4.027543   4.786727   3.169115   3.701114
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.449122   0.000000
    13  C    2.445984   1.413383   0.000000
    14  C    2.814555   2.459785   1.426449   0.000000
    15  C    2.559315   1.444430   2.450846   3.757332   0.000000
    16  C    3.768891   2.446264   2.804553   4.230915   1.420690
    17  C    4.222876   2.814336   2.410399   3.705301   2.458411
    18  C    3.738335   2.453768   1.419448   2.463393   2.819111
    19  C    3.154615   2.569917   3.786520   4.971864   1.444594
    20  C    4.434068   3.792089   4.903599   6.196632   2.454206
    21  C    5.162982   4.235823   5.059350   6.459715   2.822092
    22  C    4.924428   3.738327   4.220918   5.646762   2.458625
    23  C    3.239696   3.151008   4.422733   5.335957   2.558405
    24  C    5.354085   4.980223   6.197823   7.417271   3.761711
    25  C    5.330873   5.254579   6.568765   7.629166   4.277442
    26  C    4.417863   4.510349   5.824197   6.718118   3.825137
    27  C    5.076525   5.427047   6.702230   7.391305   4.994598
    28  C    4.864968   5.357628   6.500891   6.956561   5.242887
    29  C    3.878716   4.297905   5.300627   5.665980   4.400890
    30  C    2.948409   3.063638   4.132643   4.734528   3.040070
    31  H    3.433371   3.918703   3.411391   2.124491   5.348488
    32  H    3.896213   3.425027   2.159409   1.082956   4.597954
    33  H    5.291502   3.894131   3.398693   4.583964   3.428486
    34  H    4.587035   3.424234   2.158735   2.664829   3.899048
    35  H    6.191614   5.307087   6.111599   7.518982   3.902038
    36  H    5.836650   4.583028   4.821210   6.220660   3.428199
    37  H    6.322828   5.889532   7.051605   8.325886   4.602421
    38  H    6.278037   6.302561   7.633606   8.662111   5.355794
    39  H    6.059549   6.441160   7.744391   8.452581   5.934414
    40  H    5.720274   6.320277   7.413677   7.743240   6.296099
    41  Br   4.602203   5.127432   5.760458   5.682937   5.625359
    42  H    2.545406   2.444275   3.261890   3.777610   2.739687
                   16         17         18         19         20
    16  C    0.000000
    17  C    1.419216   0.000000
    18  C    2.412836   1.359145   0.000000
    19  C    2.444555   3.735950   4.230121   0.000000
    20  C    2.805269   4.220487   5.057028   1.413567   0.000000
    21  C    2.414484   3.704713   4.826651   2.453566   1.419599
    22  C    1.419475   2.460423   3.704006   2.812148   2.409315
    23  C    3.766226   4.920115   5.153176   1.448925   2.443321
    24  C    4.231299   5.645481   6.456904   2.461239   1.426225
    25  C    5.076833   6.460774   7.067632   2.841905   2.424610
    26  C    4.910388   6.176788   6.528000   2.479247   2.815136
    27  C    6.176948   7.362406   7.554209   3.767452   4.223116
    28  C    6.522389   7.533170   7.489598   4.278238   5.070194
    29  C    5.697933   6.534259   6.330641   3.756413   4.845038
    30  C    4.328984   5.188084   5.072819   2.509630   3.737833
    31  H    6.131164   5.790752   4.585532   6.289984   7.630283
    32  H    4.829407   4.015736   2.661400   5.879597   7.048223
    33  H    2.157012   1.082784   2.128851   4.581298   4.820577
    34  H    3.401389   2.128485   1.082748   5.300743   6.108355
    35  H    3.402951   4.586400   5.791470   3.424449   2.159256
    36  H    2.156634   2.663224   4.017722   3.892159   3.397509
    37  H    4.829657   6.222644   7.172233   3.425942   2.158921
    38  H    6.133042   7.526285   8.149911   3.923238   3.412501
    39  H    7.058265   8.302725   8.568559   4.626722   4.840621
    40  H    7.586201   8.562071   8.452215   5.357996   6.125856
    41  Br   6.868995   7.402291   6.881348   5.344701   6.565732
    42  H    3.948431   4.551314   4.235876   2.747605   4.101499
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.358931   0.000000
    23  C    3.736765   4.220134   0.000000
    24  C    2.462280   3.703209   2.811716   0.000000
    25  C    3.706513   4.826404   2.460017   1.355590   0.000000
    26  C    4.225289   5.054997   1.421805   2.409763   1.423831
    27  C    5.628175   6.426465   2.446703   3.694419   2.464123
    28  C    6.443024   7.026145   2.830011   4.829403   3.724362
    29  C    6.105383   6.428135   2.415970   5.007303   4.193612
    30  C    4.897408   5.105175   1.410609   4.205525   3.725802
    31  H    8.151914   7.526584   6.251527   8.661019   8.589628
    32  H    7.173982   6.223989   6.301970   8.322214   8.596688
    33  H    4.018138   2.663914   5.833320   6.218309   7.164758
    34  H    5.791043   4.585798   6.180236   7.514540   8.134723
    35  H    1.082688   2.128605   4.585835   2.663878   4.013266
    36  H    2.128054   1.082842   5.289146   4.581237   5.783074
    37  H    2.659116   4.012868   3.893322   1.082919   2.122979
    38  H    4.585126   5.789377   3.433287   2.125260   1.082787
    39  H    6.222815   7.161405   3.420793   4.020102   2.673447
    40  H    7.505285   8.103598   3.909911   5.791909   4.602774
    41  Br   7.716836   7.815741   4.174012   6.873532   6.100681
    42  H    5.039785   4.955398   2.160411   4.856402   4.602594
                   26         27         28         29         30
    26  C    0.000000
    27  C    1.410457   0.000000
    28  C    2.428326   1.372058   0.000000
    29  C    2.774752   2.381103   1.401443   0.000000
    30  C    2.424715   2.777053   2.422979   1.370023   0.000000
    31  H    7.483183   7.823671   7.118626   5.867132   5.363905
    32  H    7.703551   8.380989   7.907820   6.577792   5.670231
    33  H    7.021108   8.254071   8.490604   7.524441   6.176954
    34  H    7.569254   8.553931   8.408459   7.187762   5.988326
    35  H    4.822511   6.199663   7.151246   6.961492   5.826358
    36  H    6.099269   7.473039   8.081303   7.463559   6.135403
    37  H    3.398323   4.576312   5.791642   6.059450   5.282993
    38  H    2.164396   2.680850   4.047887   4.809415   4.583121
    39  H    2.150925   1.083036   2.129065   3.369160   3.859787
    40  H    3.413171   2.142032   1.080234   2.159456   3.395370
    41  Br   4.683997   4.139771   2.862980   1.909708   2.842025
    42  H    3.406220   3.852320   3.389186   2.116538   1.076235
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.463423   0.000000
    33  H    6.698324   4.713733   0.000000
    34  H    4.708541   2.405095   2.471606   0.000000
    35  H    9.222039   8.210006   4.718435   6.707935   0.000000
    36  H    8.204871   6.656025   2.409390   4.718386   2.470920
    37  H    9.648170   9.199551   6.652968   8.206667   2.402372
    38  H    9.524588   9.643598   8.202670   9.217432   4.707315
    39  H    8.843948   9.451613   9.157714   9.583731   6.648333
    40  H    7.678855   8.670519   9.527913   9.335361   8.184505
    41  Br   5.372307   6.429964   8.401304   7.537019   8.641942
    42  H    4.532009   4.659452   5.561044   5.073843   6.052152
                   36         37         38         39         40
    36  H    0.000000
    37  H    4.709724   0.000000
    38  H    6.695694   2.463500   0.000000
    39  H    8.182383   4.720430   2.432732   0.000000
    40  H    9.155851   6.704162   4.744405   2.471374   0.000000
    41  Br   8.793201   7.932692   6.688577   4.990387   2.964650
    42  H    5.916995   5.914428   5.534247   4.934756   4.269688
                   41         42
    41  Br   0.000000
    42  H    2.921474   0.000000
 Stoichiometry    C26H15Br
 Framework group  C1[X(C26H15Br)]
 Deg. of freedom   120
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.28D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          1           0       -0.652976    0.269100    2.131879
      2          6           0        0.077118   -0.515898    2.016272
      3          6           0        1.147355   -0.563978    2.876118
      4          1           0        1.246861    0.187890    3.648057
      5          6           0        2.106939   -1.581823    2.761904
      6          1           0        2.960929   -1.600767    3.426187
      7          6           0        1.931710   -2.571919    1.827980
      8          1           0        2.635140   -3.392515    1.758710
      9          6           0        0.821522   -2.563238    0.958527
     10          6           0        0.572868   -3.662981    0.087518
     11          6           0       -0.095253   -1.476611    0.997501
     12          6           0       -1.192690   -1.441893    0.051784
     13          6           0       -1.506727   -2.642536   -0.624596
     14          6           0       -0.579615   -3.726610   -0.622566
     15          6           0       -2.035643   -0.291576   -0.177518
     16          6           0       -3.356973   -0.534958   -0.639268
     17          6           0       -3.692510   -1.798849   -1.190783
     18          6           0       -2.761886   -2.786096   -1.271742
     19          6           0       -1.648813    1.086948    0.014540
     20          6           0       -2.666637    2.048502    0.208501
     21          6           0       -4.021272    1.709541   -0.047099
     22          6           0       -4.337685    0.487360   -0.549941
     23          6           0       -0.287114    1.573400   -0.077792
     24          6           0       -2.332235    3.372974    0.618459
     25          6           0       -1.040914    3.763875    0.750029
     26          6           0        0.014712    2.893138    0.356628
     27          6           0        1.350985    3.343894    0.332494
     28          6           0        2.364583    2.558938   -0.156390
     29          6           0        2.037889    1.298263   -0.674090
     30          6           0        0.755945    0.815557   -0.650086
     31          1           0        1.288904   -4.474696    0.057484
     32          1           0       -0.817830   -4.602750   -1.212841
     33          1           0       -4.691768   -1.942774   -1.582177
     34          1           0       -2.987639   -3.723712   -1.763936
     35          1           0       -4.781726    2.467363    0.093003
     36          1           0       -5.350606    0.258293   -0.856644
     37          1           0       -3.141497    4.061418    0.827867
     38          1           0       -0.794277    4.761695    1.090549
     39          1           0        1.568631    4.342013    0.692153
     40          1           0        3.386562    2.908507   -0.172645
     41         35           0        3.423691    0.224871   -1.431958
     42          1           0        0.548148   -0.150081   -1.077456
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.2187617           0.1676240           0.1216333
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       1      4      6      8     31     32     33     34     35     36
 Centers:      37     38     39     40     42
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      5      7      9     10     11     12     13     14
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     29     30
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      41
 S 6 1.00
     Exponent=  1.1328638776D+05 Coefficients=  1.4283037779D-03
     Exponent=  1.7009626303D+04 Coefficients=  1.0950417496D-02
     Exponent=  3.8701842567D+03 Coefficients=  5.4421006604D-02
     Exponent=  1.0930357227D+03 Coefficients=  1.9047907695D-01
     Exponent=  3.5639721797D+02 Coefficients=  3.9024642737D-01
     Exponent=  1.2312539643D+02 Coefficients=  3.0814432514D-01
 S 3 1.00
     Exponent=  2.3674084007D+02 Coefficients= -1.1228065671D-01
     Exponent=  2.8468661070D+01 Coefficients=  6.4775962312D-01
     Exponent=  1.1883443722D+01 Coefficients=  4.4235575986D-01
 S 3 1.00
     Exponent=  2.1269633312D+01 Coefficients= -2.2642576323D-01
     Exponent=  3.6129226841D+00 Coefficients=  7.3823712008D-01
     Exponent=  1.6626648969D+00 Coefficients=  4.2683868694D-01
 S 1 1.00
     Exponent=  3.4823793232D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3019031394D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.0966709763D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  1.5602801881D+03 Coefficients=  8.7166669072D-03
     Exponent=  3.6847859205D+02 Coefficients=  6.6243637420D-02
     Exponent=  1.1722978849D+02 Coefficients=  2.6495610385D-01
     Exponent=  4.2648909248D+01 Coefficients=  5.3839160587D-01
     Exponent=  1.6087225096D+01 Coefficients=  3.6579387888D-01
 P 3 1.00
     Exponent=  8.6352810058D+00 Coefficients=  3.4248787366D-01
     Exponent=  3.5613665502D+00 Coefficients=  5.7500678213D-01
     Exponent=  1.5292626609D+00 Coefficients=  2.4330394172D-01
 P 1 1.00
     Exponent=  5.3064294848D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5702758965D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.9636841846D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.0485518642D+02 Coefficients=  2.2650147581D-02
     Exponent=  3.0281143688D+01 Coefficients=  1.3455483230D-01
     Exponent=  1.0651394267D+01 Coefficients=  3.6474454537D-01
     Exponent=  3.8699456233D+00 Coefficients=  4.9044587056D-01
 D 1 1.00
     Exponent=  1.3240876762D+00 Coefficients=  2.7137289040D-01
 D 1 1.00
     Exponent=  3.8900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.6543342393D-02 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   737 symmetry adapted cartesian basis functions of A   symmetry.
 There are   681 symmetry adapted basis functions of A   symmetry.
   681 basis functions,  1072 primitive gaussians,   737 cartesian basis functions
   103 alpha electrons      103 beta electrons
       nuclear repulsion energy      2775.6360966885 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   42 NActive=   42 NUniq=   42 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.1271777900 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2775.5089188985 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               9.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   681 RedAO= T EigKep=  3.13D-06  NBF=   681
 NBsUse=   681 1.00D-06 EigRej= -1.00D+00 NBFU=   681
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   736   736   736   736   736 MxSgAt=    42 MxSgA2=    42.
 Leave Link  302 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:              17.7 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "24_bromohexahelicene_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:12 2021, MaxMem=  5637144576 cpu:              23.5 elap:               3.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636045566 LenY=  5635501660
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 920000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -3573.15778341944    
 DIIS: error= 2.93D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3573.15778341944     IErMin= 1 ErrMin= 2.93D-03
 ErrMax= 2.93D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-02 BMatP= 1.63D-02
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.93D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.144 Goal=   None    Shift=    0.000
 GapD=    0.144 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.08D-02 MaxDP=1.07D+00              OVMax= 9.86D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.78D-02    CP:  1.23D+00
 E= -3573.16968709982     Delta-E=       -0.011903680378 Rises=F Damp=F
 DIIS: error= 3.22D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3573.16968709982     IErMin= 2 ErrMin= 3.22D-04
 ErrMax= 3.22D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-04 BMatP= 1.63D-02
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.22D-03
 Coeff-Com:  0.844D-03 0.999D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.842D-03 0.999D+00
 Gap=     0.144 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=6.33D-02 DE=-1.19D-02 OVMax= 2.44D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.66D-04    CP:  1.24D+00  1.04D+00
 E= -3573.16973976920     Delta-E=       -0.000052669380 Rises=F Damp=F
 DIIS: error= 2.70D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3573.16973976920     IErMin= 3 ErrMin= 2.70D-04
 ErrMax= 2.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-04 BMatP= 1.85D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.70D-03
 Coeff-Com: -0.108D-01 0.464D+00 0.547D+00
 Coeff-En:   0.000D+00 0.359D+00 0.641D+00
 Coeff:     -0.108D-01 0.464D+00 0.547D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.73D-04 MaxDP=1.27D-02 DE=-5.27D-05 OVMax= 1.54D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.13D-04    CP:  1.24D+00  1.04D+00  7.42D-01
 E= -3573.16983056178     Delta-E=       -0.000090792577 Rises=F Damp=F
 DIIS: error= 3.68D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3573.16983056178     IErMin= 4 ErrMin= 3.68D-05
 ErrMax= 3.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-06 BMatP= 1.36D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.468D-02 0.163D+00 0.226D+00 0.615D+00
 Coeff:     -0.468D-02 0.163D+00 0.226D+00 0.615D+00
 Gap=     0.144 Goal=   None    Shift=    0.000
 RMSDP=4.54D-05 MaxDP=3.01D-03 DE=-9.08D-05 OVMax= 8.81D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.14D-05    CP:  1.24D+00  1.04D+00  7.78D-01  7.98D-01
 E= -3573.16983213035     Delta-E=       -0.000001568568 Rises=F Damp=F
 DIIS: error= 3.13D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3573.16983213035     IErMin= 5 ErrMin= 3.13D-05
 ErrMax= 3.13D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-06 BMatP= 3.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-02 0.267D-01 0.552D-01 0.444D+00 0.476D+00
 Coeff:     -0.128D-02 0.267D-01 0.552D-01 0.444D+00 0.476D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.81D-05 MaxDP=8.72D-04 DE=-1.57D-06 OVMax= 4.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.05D-05    CP:  1.24D+00  1.04D+00  7.85D-01  8.02D-01  5.56D-01
 E= -3573.16983472232     Delta-E=       -0.000002591972 Rises=F Damp=F
 DIIS: error= 8.74D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3573.16983472232     IErMin= 6 ErrMin= 8.74D-06
 ErrMax= 8.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-07 BMatP= 2.45D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.411D-03 0.351D-02 0.149D-01 0.214D+00 0.279D+00 0.490D+00
 Coeff:     -0.411D-03 0.351D-02 0.149D-01 0.214D+00 0.279D+00 0.490D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=5.76D-06 MaxDP=4.14D-04 DE=-2.59D-06 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.00D-06    CP:  1.24D+00  1.04D+00  7.79D-01  8.26D-01  5.91D-01
                    CP:  6.90D-01
 E= -3573.16983484861     Delta-E=       -0.000000126290 Rises=F Damp=F
 DIIS: error= 1.93D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3573.16983484861     IErMin= 7 ErrMin= 1.93D-06
 ErrMax= 1.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-08 BMatP= 1.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.910D-04-0.980D-03 0.186D-02 0.718D-01 0.106D+00 0.290D+00
 Coeff-Com:  0.531D+00
 Coeff:     -0.910D-04-0.980D-03 0.186D-02 0.718D-01 0.106D+00 0.290D+00
 Coeff:      0.531D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.54D-06 MaxDP=5.09D-05 DE=-1.26D-07 OVMax= 5.57D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.23D-06    CP:  1.24D+00  1.04D+00  7.80D-01  8.29D-01  5.90D-01
                    CP:  7.20D-01  7.28D-01
 E= -3573.16983485868     Delta-E=       -0.000000010074 Rises=F Damp=F
 DIIS: error= 1.02D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3573.16983485868     IErMin= 8 ErrMin= 1.02D-06
 ErrMax= 1.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-09 BMatP= 1.26D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.143D-04-0.109D-02-0.456D-03 0.241D-01 0.402D-01 0.148D+00
 Coeff-Com:  0.381D+00 0.408D+00
 Coeff:     -0.143D-04-0.109D-02-0.456D-03 0.241D-01 0.402D-01 0.148D+00
 Coeff:      0.381D+00 0.408D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=6.60D-07 MaxDP=2.91D-05 DE=-1.01D-08 OVMax= 2.35D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.21D-07    CP:  1.24D+00  1.04D+00  7.80D-01  8.29D-01  5.90D-01
                    CP:  7.17D-01  7.48D-01  6.01D-01
 E= -3573.16983486260     Delta-E=       -0.000000003920 Rises=F Damp=F
 DIIS: error= 2.42D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3573.16983486260     IErMin= 9 ErrMin= 2.42D-07
 ErrMax= 2.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-10 BMatP= 3.34D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.326D-05-0.517D-03-0.468D-03 0.519D-02 0.101D-01 0.505D-01
 Coeff-Com:  0.157D+00 0.232D+00 0.545D+00
 Coeff:      0.326D-05-0.517D-03-0.468D-03 0.519D-02 0.101D-01 0.505D-01
 Coeff:      0.157D+00 0.232D+00 0.545D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.99D-07 MaxDP=1.27D-05 DE=-3.92D-09 OVMax= 4.98D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.44D-07    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.19D-01  7.45D-01  6.11D-01  7.77D-01
 E= -3573.16983486278     Delta-E=       -0.000000000179 Rises=F Damp=F
 DIIS: error= 1.03D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3573.16983486278     IErMin=10 ErrMin= 1.03D-07
 ErrMax= 1.03D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-11 BMatP= 1.51D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-05-0.242D-03-0.251D-03 0.143D-02 0.315D-02 0.204D-01
 Coeff-Com:  0.702D-01 0.115D+00 0.344D+00 0.446D+00
 Coeff:      0.312D-05-0.242D-03-0.251D-03 0.143D-02 0.315D-02 0.204D-01
 Coeff:      0.702D-01 0.115D+00 0.344D+00 0.446D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=7.18D-08 MaxDP=3.97D-06 DE=-1.79D-10 OVMax= 2.06D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  5.76D-08    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.19D-01  7.44D-01  6.11D-01  7.74D-01  7.24D-01
 E= -3573.16983486285     Delta-E=       -0.000000000072 Rises=F Damp=F
 DIIS: error= 2.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3573.16983486285     IErMin=11 ErrMin= 2.70D-08
 ErrMax= 2.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-12 BMatP= 2.11D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-05-0.680D-04-0.792D-04 0.828D-04 0.283D-03 0.431D-02
 Coeff-Com:  0.177D-01 0.332D-01 0.122D+00 0.267D+00 0.556D+00
 Coeff:      0.143D-05-0.680D-04-0.792D-04 0.828D-04 0.283D-03 0.431D-02
 Coeff:      0.177D-01 0.332D-01 0.122D+00 0.267D+00 0.556D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=3.28D-08 MaxDP=1.27D-06 DE=-7.19D-11 OVMax= 5.62D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.85D-08    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.19D-01  7.43D-01  6.08D-01  7.68D-01  7.70D-01
                    CP:  1.02D+00
 E= -3573.16983486265     Delta-E=        0.000000000200 Rises=F Damp=F
 DIIS: error= 7.81D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -3573.16983486285     IErMin=12 ErrMin= 7.81D-09
 ErrMax= 7.81D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-13 BMatP= 2.04D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.285D-06-0.192D-05-0.739D-05-0.135D-03-0.286D-03-0.490D-03
 Coeff-Com: -0.115D-03 0.171D-02 0.149D-01 0.815D-01 0.305D+00 0.598D+00
 Coeff:      0.285D-06-0.192D-05-0.739D-05-0.135D-03-0.286D-03-0.490D-03
 Coeff:     -0.115D-03 0.171D-02 0.149D-01 0.815D-01 0.305D+00 0.598D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=3.53D-08 MaxDP=1.20D-06 DE= 2.00D-10 OVMax= 1.49D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.43D-08    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.18D-01  7.43D-01  6.09D-01  7.74D-01  8.11D-01
                    CP:  1.19D+00  1.69D+00
 E= -3573.16983486225     Delta-E=        0.000000000408 Rises=F Damp=F
 DIIS: error= 2.91D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -3573.16983486285     IErMin=13 ErrMin= 2.91D-09
 ErrMax= 2.91D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-14 BMatP= 2.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.458D-08 0.674D-05 0.430D-05-0.882D-04-0.207D-03-0.768D-03
 Coeff-Com: -0.201D-02-0.257D-02-0.484D-02 0.202D-01 0.125D+00 0.356D+00
 Coeff-Com:  0.509D+00
 Coeff:      0.458D-08 0.674D-05 0.430D-05-0.882D-04-0.207D-03-0.768D-03
 Coeff:     -0.201D-02-0.257D-02-0.484D-02 0.202D-01 0.125D+00 0.356D+00
 Coeff:      0.509D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=4.88D-08 MaxDP=1.74D-06 DE= 4.08D-10 OVMax= 5.47D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.24D+00  1.04D+00  7.80D-01  8.29D-01  5.91D-01
                    CP:  7.18D-01  7.41D-01  6.09D-01  7.78D-01  8.64D-01
                    CP:  1.39D+00  2.72D+00  2.27D+00
 E= -3573.16983486258     Delta-E=       -0.000000000337 Rises=F Damp=F
 DIIS: error= 4.60D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=11 EnMin= -3573.16983486285     IErMin=13 ErrMin= 2.91D-09
 ErrMax= 4.60D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-15 BMatP= 3.48D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.843D-08 0.473D-05 0.329D-05-0.541D-04-0.130D-03-0.511D-03
 Coeff-Com: -0.139D-02-0.185D-02-0.429D-02 0.957D-02 0.705D-01 0.213D+00
 Coeff-Com:  0.353D+00 0.362D+00
 Coeff:     -0.843D-08 0.473D-05 0.329D-05-0.541D-04-0.130D-03-0.511D-03
 Coeff:     -0.139D-02-0.185D-02-0.429D-02 0.957D-02 0.705D-01 0.213D+00
 Coeff:      0.353D+00 0.362D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=5.74D-08 MaxDP=2.05D-06 DE=-3.37D-10 OVMax= 1.13D-08

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.22D-08    CP:  1.24D+00  1.04D+00  7.80D-01  8.29D-01  5.91D-01
                    CP:  7.17D-01  7.39D-01  6.09D-01  7.83D-01  9.25D-01
                    CP:  1.61D+00  3.00D+00  3.00D+00  2.23D+00
 E= -3573.16983486244     Delta-E=        0.000000000143 Rises=F Damp=F
 DIIS: error= 6.23D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=11 EnMin= -3573.16983486285     IErMin=13 ErrMin= 2.91D-09
 ErrMax= 6.23D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.85D-15 BMatP= 7.57D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.374D-07 0.641D-05 0.497D-05-0.601D-04-0.148D-03-0.636D-03
 Coeff-Com: -0.184D-02-0.259D-02-0.705D-02 0.550D-02 0.668D-01 0.231D+00
 Coeff-Com:  0.473D+00 0.115D+01-0.911D+00
 Coeff:     -0.374D-07 0.641D-05 0.497D-05-0.601D-04-0.148D-03-0.636D-03
 Coeff:     -0.184D-02-0.259D-02-0.705D-02 0.550D-02 0.668D-01 0.231D+00
 Coeff:      0.473D+00 0.115D+01-0.911D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.15D-07 MaxDP=4.02D-06 DE= 1.43D-10 OVMax= 1.07D-08

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  7.67D-09    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.18D-01  7.43D-01  6.09D-01  7.77D-01  8.08D-01
                    CP:  1.16D+00  1.55D+00  7.50D-01 -2.25D-01 -1.16D-02
 E= -3573.16983486273     Delta-E=       -0.000000000292 Rises=F Damp=F
 DIIS: error= 2.29D-09 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=11 EnMin= -3573.16983486285     IErMin=16 ErrMin= 2.29D-09
 ErrMax= 2.29D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-15 BMatP= 7.57D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-1.41D-15
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.226D-05 0.179D-05-0.186D-04-0.467D-04-0.233D-03-0.733D-03
 Coeff-Com: -0.108D-02-0.403D-02-0.345D-02 0.503D-02 0.500D-01 0.208D+00
 Coeff-Com:  0.108D+01-0.120D+01 0.870D+00
 Coeff:      0.226D-05 0.179D-05-0.186D-04-0.467D-04-0.233D-03-0.733D-03
 Coeff:     -0.108D-02-0.403D-02-0.345D-02 0.503D-02 0.500D-01 0.208D+00
 Coeff:      0.108D+01-0.120D+01 0.870D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=7.09D-08 MaxDP=2.51D-06 DE=-2.92D-10 OVMax= 1.47D-08

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  7.91D-09    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.19D-01  7.45D-01  6.06D-01  7.68D-01  7.25D-01
                    CP:  9.23D-01  2.44D-01 -1.22D+00 -2.07D+00 -3.86D-02
                    CP:  1.62D+00
 E= -3573.16983486280     Delta-E=       -0.000000000064 Rises=F Damp=F
 DIIS: error= 7.27D-10 at cycle  17 NSaved=  16.
 NSaved=16 IEnMin=10 EnMin= -3573.16983486285     IErMin=16 ErrMin= 7.27D-10
 ErrMax= 7.27D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.59D-16 BMatP= 2.81D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-4.55D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.941D-09 0.189D-05 0.155D-05-0.999D-05-0.631D-04-0.115D-03
 Coeff-Com: -0.104D-02-0.279D-02-0.843D-02-0.106D-01 0.412D-01 0.405D+00
 Coeff-Com: -0.431D+00 0.462D+00 0.547D+00
 Coeff:      0.941D-09 0.189D-05 0.155D-05-0.999D-05-0.631D-04-0.115D-03
 Coeff:     -0.104D-02-0.279D-02-0.843D-02-0.106D-01 0.412D-01 0.405D+00
 Coeff:     -0.431D+00 0.462D+00 0.547D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=1.22D-08 MaxDP=7.28D-07 DE=-6.37D-11 OVMax= 6.98D-09

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  3.25D-09    CP:  1.24D+00  1.04D+00  7.80D-01  8.28D-01  5.91D-01
                    CP:  7.19D-01  7.45D-01  6.05D-01  7.64D-01  7.27D-01
                    CP:  9.90D-01  4.89D-01 -1.09D+00 -2.27D+00 -4.93D-02
                    CP:  1.25D+00  1.69D+00
 E= -3573.16983486269     Delta-E=        0.000000000107 Rises=F Damp=F
 DIIS: error= 4.44D-10 at cycle  18 NSaved=  16.
 NSaved=16 IEnMin= 9 EnMin= -3573.16983486285     IErMin=16 ErrMin= 4.44D-10
 ErrMax= 4.44D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-16 BMatP= 4.59D-16
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Large coefficients: NSaved= 16 BigCof=    0.00 CofMax=   10.00 Det=-2.75D-16
 Inversion failed.  Reducing to 15 matrices.
 Coeff-Com:  0.147D-05 0.219D-05 0.336D-05-0.263D-05-0.164D-04-0.342D-03
 Coeff-Com: -0.121D-02-0.424D-02-0.788D-02 0.694D-02 0.119D+00-0.841D-01
 Coeff-Com:  0.143D+00 0.268D+00 0.561D+00
 Coeff:      0.147D-05 0.219D-05 0.336D-05-0.263D-05-0.164D-04-0.342D-03
 Coeff:     -0.121D-02-0.424D-02-0.788D-02 0.694D-02 0.119D+00-0.841D-01
 Coeff:      0.143D+00 0.268D+00 0.561D+00
 Gap=     0.143 Goal=   None    Shift=    0.000
 RMSDP=8.44D-09 MaxDP=4.34D-07 DE= 1.07D-10 OVMax= 2.38D-09

 SCF Done:  E(RB3LYP) =  -3573.16983486     A.U. after   18 cycles
            NFock= 18  Conv=0.84D-08     -V/T= 2.0041
 KE= 3.558501687716D+03 PE=-1.401336312164D+04 EE= 4.106182680165D+03
 Leave Link  502 at Fri Jul 16 13:56:09 2021, MaxMem=  5637144576 cpu:           21890.5 elap:            2756.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   681
 NBasis=   681 NAE=   103 NBE=   103 NFC=     0 NFV=     0
 NROrb=    681 NOA=   103 NOB=   103 NVA=   578 NVB=   578

 **** Warning!!: The largest alpha MO coefficient is  0.65847633D+02

 Leave Link  801 at Fri Jul 16 13:56:10 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        12867 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          42
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.92D-13 8.33D-09 XBig12= 1.00D+00 4.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.92D-13 8.33D-09 XBig12= 8.54D-01 1.98D-01.
     11 vectors produced by pass  2 Test12= 9.92D-13 8.33D-09 XBig12= 2.22D-01 7.13D-02.
     11 vectors produced by pass  3 Test12= 9.92D-13 8.33D-09 XBig12= 4.74D-02 3.43D-02.
     11 vectors produced by pass  4 Test12= 9.92D-13 8.33D-09 XBig12= 1.14D-02 2.70D-02.
     11 vectors produced by pass  5 Test12= 9.92D-13 8.33D-09 XBig12= 1.90D-03 1.14D-02.
     11 vectors produced by pass  6 Test12= 9.92D-13 8.33D-09 XBig12= 4.23D-04 4.13D-03.
     11 vectors produced by pass  7 Test12= 9.92D-13 8.33D-09 XBig12= 6.68D-05 1.04D-03.
     11 vectors produced by pass  8 Test12= 9.92D-13 8.33D-09 XBig12= 5.11D-06 4.24D-04.
     11 vectors produced by pass  9 Test12= 9.92D-13 8.33D-09 XBig12= 2.31D-07 6.03D-05.
     11 vectors produced by pass 10 Test12= 9.92D-13 8.33D-09 XBig12= 7.52D-09 1.23D-05.
     11 vectors produced by pass 11 Test12= 9.92D-13 8.33D-09 XBig12= 2.74D-10 1.69D-06.
     10 vectors produced by pass 12 Test12= 9.92D-13 8.33D-09 XBig12= 6.41D-12 2.44D-07.
      8 vectors produced by pass 13 Test12= 9.92D-13 8.33D-09 XBig12= 2.20D-13 4.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.41D-13
 Solved reduced A of dimension   150 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.466503D+03
      2 -0.185640D+02  0.435059D+03
      3  0.493160D+02  0.421400D+02  0.245998D+03
 Isotropic polarizability for W=    0.085645      382.52 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.705953D+03  0.704071D+02 -0.342034D+03
      2   0.233438D+03  0.160262D+02 -0.153139D+02
      3   0.472516D+03 -0.864333D+02  0.357348D+03
      4   0.121218D+03 -0.376258D+03 -0.344453D+03
      5  -0.151631D+03 -0.234833D+03  0.772532D+02
      6  -0.327528D+03  0.112835D+03 -0.189697D+03
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.224395D+03 -0.676365D+02  0.167450D+03
      2  -0.121884D+03 -0.944223D+02 -0.424365D+02
      3   0.163192D+03  0.807681D+03 -0.288668D+03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.109620D+03  0.128149D+03  0.103264D+03
      2  -0.190403D+03 -0.169249D+02 -0.395262D+03
      3   0.508104D+02  0.609696D+03 -0.926950D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.164140D+03  0.395985D+02 -0.634013D+02
      2   0.395985D+02 -0.363678D+02 -0.164507D+03
      3  -0.634013D+02 -0.164507D+03  0.418126D+02
 OR G Eigenvalues:  -183.6087  -162.6019   187.5152  Iso=    52.8984
 Eigenvectors:
   (1)   0.886635   0.217526   0.408118
   (2)  -0.413648   0.767656   0.489490
   (3)  -0.206817  -0.602816   0.770610
 w=    0.085645 a.u., Optical Rotation Beta=     52.8984 au.
 Molar Mass =    407.3085 grams/mole, [Alpha] ( 5320.0 A) =     6159.48 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  232221 ScalPx= 1.27D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.65D-13 2.78D-09 XBig12= 1.00D+00 3.82D-01.
     30 vectors produced by pass  1 Test12= 1.65D-13 2.78D-09 XBig12= 6.12D-02 6.97D-02.
     30 vectors produced by pass  2 Test12= 1.65D-13 2.78D-09 XBig12= 6.27D-03 1.35D-02.
     30 vectors produced by pass  3 Test12= 1.65D-13 2.78D-09 XBig12= 6.97D-04 3.10D-03.
     30 vectors produced by pass  4 Test12= 1.65D-13 2.78D-09 XBig12= 2.84D-05 4.49D-04.
     30 vectors produced by pass  5 Test12= 1.65D-13 2.78D-09 XBig12= 5.97D-07 7.96D-05.
     30 vectors produced by pass  6 Test12= 1.65D-13 2.78D-09 XBig12= 1.17D-08 8.61D-06.
     30 vectors produced by pass  7 Test12= 1.65D-13 2.78D-09 XBig12= 1.26D-10 1.28D-06.
     30 vectors produced by pass  8 Test12= 1.65D-13 2.78D-09 XBig12= 1.49D-12 1.11D-07.
      8 vectors produced by pass  9 Test12= 1.65D-13 2.78D-09 XBig12= 1.62D-14 9.24D-09.
      1 vectors produced by pass 10 Test12= 1.65D-13 2.78D-09 XBig12= 3.57D-15 4.08D-09.
      1 vectors produced by pass 11 Test12= 1.65D-13 2.78D-09 XBig12= 8.25D-14 1.41D-08.
      1 vectors produced by pass 12 Test12= 1.65D-13 2.78D-09 XBig12= 7.14D-12 1.69D-07.
      1 vectors produced by pass 13 Test12= 1.65D-13 2.78D-09 XBig12= 8.53D-11 6.21D-07.
      1 vectors produced by pass 14 Test12= 1.65D-13 2.78D-09 XBig12= 5.10D-10 1.45D-06.
      1 vectors produced by pass 15 Test12= 1.65D-13 2.78D-09 XBig12= 7.81D-10 2.02D-06.
      1 vectors produced by pass 16 Test12= 1.65D-13 2.78D-09 XBig12= 3.72D-10 1.25D-06.
      1 vectors produced by pass 17 Test12= 1.65D-13 2.78D-09 XBig12= 2.26D-10 9.93D-07.
      1 vectors produced by pass 18 Test12= 1.65D-13 2.78D-09 XBig12= 1.63D-10 8.73D-07.
      1 vectors produced by pass 19 Test12= 1.65D-13 2.78D-09 XBig12= 4.32D-11 4.88D-07.
      1 vectors produced by pass 20 Test12= 1.65D-13 2.78D-09 XBig12= 2.65D-11 3.02D-07.
      1 vectors produced by pass 21 Test12= 1.65D-13 2.78D-09 XBig12= 2.09D-11 2.82D-07.
      1 vectors produced by pass 22 Test12= 1.65D-13 2.78D-09 XBig12= 2.00D-11 2.66D-07.
      1 vectors produced by pass 23 Test12= 1.65D-13 2.78D-09 XBig12= 1.63D-11 2.38D-07.
      1 vectors produced by pass 24 Test12= 1.65D-13 2.78D-09 XBig12= 5.97D-12 1.42D-07.
      1 vectors produced by pass 25 Test12= 1.65D-13 2.78D-09 XBig12= 5.64D-12 1.61D-07.
      1 vectors produced by pass 26 Test12= 1.65D-13 2.78D-09 XBig12= 5.13D-12 1.43D-07.
      1 vectors produced by pass 27 Test12= 1.65D-13 2.78D-09 XBig12= 4.94D-12 1.14D-07.
      1 vectors produced by pass 28 Test12= 1.65D-13 2.78D-09 XBig12= 2.71D-12 8.80D-08.
      1 vectors produced by pass 29 Test12= 1.65D-13 2.78D-09 XBig12= 2.21D-12 8.10D-08.
      1 vectors produced by pass 30 Test12= 1.65D-13 2.78D-09 XBig12= 1.37D-12 6.46D-08.
      1 vectors produced by pass 31 Test12= 1.65D-13 2.78D-09 XBig12= 1.46D-12 6.93D-08.
      1 vectors produced by pass 32 Test12= 1.65D-13 2.78D-09 XBig12= 8.46D-13 5.80D-08.
      1 vectors produced by pass 33 Test12= 1.65D-13 2.78D-09 XBig12= 4.43D-13 3.57D-08.
      1 vectors produced by pass 34 Test12= 1.65D-13 2.78D-09 XBig12= 2.53D-13 2.59D-08.
      1 vectors produced by pass 35 Test12= 1.65D-13 2.78D-09 XBig12= 3.37D-13 3.60D-08.
      1 vectors produced by pass 36 Test12= 1.65D-13 2.78D-09 XBig12= 8.06D-13 5.81D-08.
      1 vectors produced by pass 37 Test12= 1.65D-13 2.78D-09 XBig12= 9.37D-13 5.75D-08.
      1 vectors produced by pass 38 Test12= 1.65D-13 2.78D-09 XBig12= 3.80D-13 3.17D-08.
      1 vectors produced by pass 39 Test12= 1.65D-13 2.78D-09 XBig12= 3.83D-13 4.56D-08.
      1 vectors produced by pass 40 Test12= 1.65D-13 2.78D-09 XBig12= 2.78D-13 3.82D-08.
      1 vectors produced by pass 41 Test12= 1.65D-13 2.78D-09 XBig12= 2.18D-13 2.86D-08.
      1 vectors produced by pass 42 Test12= 1.65D-13 2.78D-09 XBig12= 1.75D-13 2.28D-08.
      1 vectors produced by pass 43 Test12= 1.65D-13 2.78D-09 XBig12= 1.73D-13 2.83D-08.
      1 vectors produced by pass 44 Test12= 1.65D-13 2.78D-09 XBig12= 1.95D-13 2.55D-08.
      1 vectors produced by pass 45 Test12= 1.65D-13 2.78D-09 XBig12= 2.31D-13 3.22D-08.
      1 vectors produced by pass 46 Test12= 1.65D-13 2.78D-09 XBig12= 2.16D-13 3.17D-08.
      1 vectors produced by pass 47 Test12= 1.65D-13 2.78D-09 XBig12= 1.58D-13 2.52D-08.
      1 vectors produced by pass 48 Test12= 1.65D-13 2.78D-09 XBig12= 1.39D-13 2.04D-08.
      1 vectors produced by pass 49 Test12= 1.65D-13 2.78D-09 XBig12= 1.86D-13 2.23D-08.
      1 vectors produced by pass 50 Test12= 1.65D-13 2.78D-09 XBig12= 2.28D-13 2.52D-08.
      1 vectors produced by pass 51 Test12= 1.65D-13 2.78D-09 XBig12= 1.97D-13 2.68D-08.
      1 vectors produced by pass 52 Test12= 1.65D-13 2.78D-09 XBig12= 1.55D-13 2.20D-08.
      1 vectors produced by pass 53 Test12= 1.65D-13 2.78D-09 XBig12= 1.08D-13 1.95D-08.
      1 vectors produced by pass 54 Test12= 1.65D-13 2.78D-09 XBig12= 2.04D-13 2.89D-08.
      1 vectors produced by pass 55 Test12= 1.65D-13 2.78D-09 XBig12= 1.94D-13 3.16D-08.
      1 vectors produced by pass 56 Test12= 1.65D-13 2.78D-09 XBig12= 1.26D-13 1.88D-08.
      1 vectors produced by pass 57 Test12= 1.65D-13 2.78D-09 XBig12= 1.11D-13 1.88D-08.
      1 vectors produced by pass 58 Test12= 1.65D-13 2.78D-09 XBig12= 7.22D-14 1.50D-08.
      1 vectors produced by pass 59 Test12= 1.65D-13 2.78D-09 XBig12= 9.23D-14 1.57D-08.
      1 vectors produced by pass 60 Test12= 1.65D-13 2.78D-09 XBig12= 7.93D-14 1.88D-08.
      1 vectors produced by pass 61 Test12= 1.65D-13 2.78D-09 XBig12= 7.70D-14 1.49D-08.
      1 vectors produced by pass 62 Test12= 1.65D-13 2.78D-09 XBig12= 5.69D-14 1.25D-08.
      1 vectors produced by pass 63 Test12= 1.65D-13 2.78D-09 XBig12= 5.78D-14 1.47D-08.
      1 vectors produced by pass 64 Test12= 1.65D-13 2.78D-09 XBig12= 4.44D-14 1.06D-08.
      1 vectors produced by pass 65 Test12= 1.65D-13 2.78D-09 XBig12= 4.17D-14 1.19D-08.
      1 vectors produced by pass 66 Test12= 1.65D-13 2.78D-09 XBig12= 3.14D-14 8.48D-09.
      1 vectors produced by pass 67 Test12= 1.65D-13 2.78D-09 XBig12= 4.04D-14 1.11D-08.
      1 vectors produced by pass 68 Test12= 1.65D-13 2.78D-09 XBig12= 4.09D-14 9.96D-09.
      1 vectors produced by pass 69 Test12= 1.65D-13 2.78D-09 XBig12= 3.32D-14 1.10D-08.
      1 vectors produced by pass 70 Test12= 1.65D-13 2.78D-09 XBig12= 2.96D-14 7.94D-09.
      1 vectors produced by pass 71 Test12= 1.65D-13 2.78D-09 XBig12= 2.37D-14 7.45D-09.
      1 vectors produced by pass 72 Test12= 1.65D-13 2.78D-09 XBig12= 3.61D-14 1.03D-08.
      1 vectors produced by pass 73 Test12= 1.65D-13 2.78D-09 XBig12= 3.42D-14 9.34D-09.
      1 vectors produced by pass 74 Test12= 1.65D-13 2.78D-09 XBig12= 2.40D-14 8.17D-09.
      1 vectors produced by pass 75 Test12= 1.65D-13 2.78D-09 XBig12= 2.43D-14 8.07D-09.
      1 vectors produced by pass 76 Test12= 1.65D-13 2.78D-09 XBig12= 2.13D-14 8.16D-09.
      1 vectors produced by pass 77 Test12= 1.65D-13 2.78D-09 XBig12= 2.25D-14 6.81D-09.
      1 vectors produced by pass 78 Test12= 1.65D-13 2.78D-09 XBig12= 2.55D-14 1.18D-08.
      1 vectors produced by pass 79 Test12= 1.65D-13 2.78D-09 XBig12= 2.41D-14 8.46D-09.
      1 vectors produced by pass 80 Test12= 1.65D-13 2.78D-09 XBig12= 1.86D-14 6.04D-09.
      1 vectors produced by pass 81 Test12= 1.65D-13 2.78D-09 XBig12= 1.93D-14 6.81D-09.
      1 vectors produced by pass 82 Test12= 1.65D-13 2.78D-09 XBig12= 1.56D-14 6.48D-09.
      1 vectors produced by pass 83 Test12= 1.65D-13 2.78D-09 XBig12= 1.16D-14 5.91D-09.
      1 vectors produced by pass 84 Test12= 1.65D-13 2.78D-09 XBig12= 8.97D-15 4.48D-09.
      1 vectors produced by pass 85 Test12= 1.65D-13 2.78D-09 XBig12= 7.56D-15 4.38D-09.
      1 vectors produced by pass 86 Test12= 1.65D-13 2.78D-09 XBig12= 8.10D-15 4.55D-09.
      1 vectors produced by pass 87 Test12= 1.65D-13 2.78D-09 XBig12= 9.87D-15 4.30D-09.
      1 vectors produced by pass 88 Test12= 1.65D-13 2.78D-09 XBig12= 8.95D-15 5.67D-09.
      1 vectors produced by pass 89 Test12= 1.65D-13 2.78D-09 XBig12= 8.50D-15 4.73D-09.
      1 vectors produced by pass 90 Test12= 1.65D-13 2.78D-09 XBig12= 6.65D-15 4.65D-09.
      1 vectors produced by pass 91 Test12= 1.65D-13 2.78D-09 XBig12= 7.83D-15 5.00D-09.
      1 vectors produced by pass 92 Test12= 1.65D-13 2.78D-09 XBig12= 8.90D-15 4.91D-09.
      1 vectors produced by pass 93 Test12= 1.65D-13 2.78D-09 XBig12= 1.14D-14 4.86D-09.
      1 vectors produced by pass 94 Test12= 1.65D-13 2.78D-09 XBig12= 1.18D-14 5.72D-09.
      1 vectors produced by pass 95 Test12= 1.65D-13 2.78D-09 XBig12= 5.98D-15 3.91D-09.
      1 vectors produced by pass 96 Test12= 1.65D-13 2.78D-09 XBig12= 6.95D-15 3.93D-09.
      1 vectors produced by pass 97 Test12= 1.65D-13 2.78D-09 XBig12= 4.67D-15 3.61D-09.
      1 vectors produced by pass 98 Test12= 1.65D-13 2.78D-09 XBig12= 4.84D-15 3.41D-09.
      1 vectors produced by pass 99 Test12= 1.65D-13 2.78D-09 XBig12= 4.50D-15 2.94D-09.
      1 vectors produced by pass100 Test12= 1.65D-13 2.78D-09 XBig12= 5.50D-15 3.99D-09.
      1 vectors produced by pass101 Test12= 1.65D-13 2.78D-09 XBig12= 4.72D-15 3.07D-09.
      1 vectors produced by pass102 Test12= 1.65D-13 2.78D-09 XBig12= 5.52D-15 3.89D-09.
      1 vectors produced by pass103 Test12= 1.65D-13 2.78D-09 XBig12= 6.97D-15 4.37D-09.
      1 vectors produced by pass104 Test12= 1.65D-13 2.78D-09 XBig12= 3.89D-15 3.17D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   373 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 3.95D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  232221 ScalPx= 3.95D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  232221 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.74D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.466503D+03 -0.185640D+02  0.493160D+02
      2  -0.185640D+02  0.435059D+03  0.421400D+02
      3   0.493160D+02  0.421400D+02  0.245998D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.224395D+03 -0.676365D+02  0.167450D+03
      2  -0.121884D+03 -0.944223D+02 -0.424365D+02
      3   0.163192D+03  0.807681D+03 -0.288668D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.705953D+03  0.704071D+02 -0.342034D+03
      2   0.233438D+03  0.160262D+02 -0.153139D+02
      3   0.472516D+03 -0.864333D+02  0.357348D+03
      4   0.121218D+03 -0.376258D+03 -0.344453D+03
      5  -0.151631D+03 -0.234833D+03  0.772532D+02
      6  -0.327528D+03  0.112835D+03 -0.189697D+03
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.117831D+01  0.122370D+01 -0.992169D-02  0.666248D+00 -0.735336D+00
      2   0.122370D+01 -0.181717D+01  0.380482D+00 -0.735336D+00  0.184732D+01
      3  -0.992169D-02  0.380482D+00 -0.994647D+00 -0.537203D+00  0.299372D+00
                 6             7             8             9            10 
      1  -0.537203D+00 -0.325532D+00 -0.188685D+00 -0.464142D+00 -0.372124D+01
      2   0.299372D+00 -0.188685D+00 -0.644426D+00  0.728966D+00  0.123810D+01
      3   0.116226D+01 -0.464142D+00  0.728966D+00  0.387392D+00 -0.249782D+01
                11            12            13            14            15 
      1   0.123810D+01 -0.249782D+01 -0.247970D+01  0.607379D+00 -0.166440D+01
      2  -0.122084D+01 -0.945295D+00  0.607379D+00  0.181668D+00 -0.113575D+01
      3  -0.945295D+00 -0.793122D+01 -0.166440D+01 -0.113575D+01 -0.178726D+01
                16            17            18            19            20 
      1  -0.398256D+01  0.821272D+00 -0.527189D+01  0.490457D+01 -0.162500D+01
      2   0.821272D+00 -0.649611D+01  0.179358D+01 -0.162500D+01  0.514261D+01
      3  -0.527189D+01  0.179358D+01 -0.660562D+01  0.234076D+01 -0.563371D+00
                21            22            23            24            25 
      1   0.234076D+01  0.332819D+01  0.134662D+01  0.320667D+01  0.380069D+01
      2  -0.563371D+00  0.134662D+01 -0.113749D+01  0.480849D+00 -0.191055D+01
      3  -0.138705D+00  0.320667D+01  0.480849D+00  0.999193D+00  0.417535D+01
                26            27            28            29            30 
      1  -0.191055D+01  0.417535D+01  0.843333D+00  0.266045D+00  0.149085D+01
      2   0.206758D+01 -0.283642D+01  0.266045D+00  0.226373D+00 -0.355506D-02
      3  -0.283642D+01  0.114569D+02  0.149085D+01 -0.355506D-02  0.191347D+01
                31            32            33            34            35 
      1   0.273952D+00  0.879455D+00  0.126518D+01  0.143232D+01  0.113903D+01
      2   0.879455D+00  0.195550D+01  0.287921D+01  0.113903D+01  0.168007D+01
      3   0.126518D+01  0.287921D+01  0.596246D+01  0.213805D+01  0.314585D+01
                36            37            38            39            40 
      1   0.213805D+01  0.556730D+01  0.484732D+00  0.276802D+01  0.781158D+01
      2   0.314585D+01  0.484732D+00  0.216644D+01  0.111804D+01 -0.220575D+01
      3   0.664794D+01  0.276802D+01  0.111804D+01  0.314241D+01  0.228806D+01
                41            42            43            44            45 
      1  -0.220575D+01  0.228806D+01  0.554806D+01 -0.456424D+01  0.606006D+01
      2   0.430921D+01 -0.682717D+00 -0.456424D+01  0.648811D+01 -0.414503D+01
      3  -0.682717D+00 -0.155224D+01  0.606006D+01 -0.414503D+01  0.107381D+02
                46            47            48            49            50 
      1   0.843572D+01 -0.164213D+01  0.650009D+01 -0.736614D+00  0.935284D+00
      2  -0.164213D+01  0.742519D+00 -0.152075D+01  0.935284D+00 -0.258846D+00
      3   0.650009D+01 -0.152075D+01  0.606023D+01  0.138084D+00  0.701497D+00
                51            52            53            54            55 
      1   0.138084D+00  0.567676D+01 -0.521190D+00  0.506360D+01 -0.125283D+01
      2   0.701497D+00 -0.521190D+00  0.252820D+00 -0.527179D+00  0.143370D+01
      3   0.100176D+01  0.506360D+01 -0.527179D+00  0.517722D+01 -0.356604D+01
                56            57            58            59            60 
      1   0.143370D+01 -0.356604D+01 -0.569608D+01  0.167512D+01 -0.623643D+01
      2  -0.313608D+01  0.205223D+01  0.167512D+01 -0.520403D+01  0.390821D+01
      3   0.205223D+01 -0.236867D+01 -0.623643D+01  0.390821D+01 -0.672423D+01
                61            62            63            64            65 
      1  -0.112458D+02  0.254261D+01 -0.649384D+01  0.540849D+01 -0.463973D+01
      2   0.254261D+01 -0.194363D+01  0.110989D+01 -0.463973D+01  0.461441D+01
      3  -0.649384D+01  0.110989D+01 -0.676081D+01  0.118062D+01 -0.121647D+01
                66            67            68            69            70 
      1   0.118062D+01 -0.483562D+01  0.483962D+01 -0.505754D+00  0.455029D+00
      2  -0.121647D+01  0.483962D+01 -0.585774D+01  0.820645D+00  0.746343D-01
      3   0.752619D+00 -0.505754D+00  0.820645D+00 -0.455330D+00  0.544300D+00
                71            72            73            74            75 
      1   0.746343D-01  0.544300D+00  0.130400D+02 -0.448001D+01  0.118095D+02
      2  -0.637305D+00 -0.633779D+00 -0.448001D+01  0.472402D+01 -0.292010D+01
      3  -0.633779D+00  0.124083D+00  0.118095D+02 -0.292010D+01  0.118496D+02
                76            77            78            79            80 
      1  -0.164952D+02  0.643932D+01 -0.192254D+02 -0.166607D+01  0.771937D+00
      2   0.643932D+01 -0.753446D+01  0.316430D+01  0.771937D+00  0.687105D+00
      3  -0.192254D+02  0.316430D+01 -0.221423D+02 -0.197997D+01 -0.120260D+01
                81            82            83            84            85 
      1  -0.197997D+01  0.186096D+02 -0.138595D+02  0.110055D+02  0.711458D+01
      2  -0.120260D+01 -0.138595D+02  0.256403D+02 -0.385763D+01 -0.310011D+01
      3  -0.499860D+01  0.110055D+02 -0.385763D+01  0.127878D+02  0.599140D+01
                86            87            88            89            90 
      1  -0.310011D+01  0.599140D+01  0.110256D+02 -0.856379D+01  0.137791D+02
      2  -0.109196D+01  0.613305D+00 -0.856379D+01  0.207444D+02 -0.766589D+01
      3   0.613305D+00  0.699548D+01  0.137791D+02 -0.766589D+01  0.148043D+02
                91            92            93            94            95 
      1  -0.226898D+02  0.590354D+01 -0.194700D+02  0.918288D+01 -0.226020D+01
      2   0.590354D+01 -0.862614D+01  0.353290D+01 -0.226020D+01  0.449179D+01
      3  -0.194700D+02  0.353290D+01 -0.198522D+02  0.127077D+02 -0.615206D+00
                96            97            98            99           100 
      1   0.127077D+02 -0.357616D+01  0.195866D+01 -0.364788D+01  0.102074D+02
      2  -0.615206D+00  0.195866D+01  0.120396D+01  0.188547D+01  0.214720D+01
      3   0.148338D+02 -0.364788D+01  0.188547D+01 -0.304284D+01  0.978259D+01
               101           102           103           104           105 
      1   0.214720D+01  0.978259D+01  0.268393D+02 -0.246790D+02  0.167286D+02
      2  -0.597594D+01 -0.318121D+00 -0.246790D+02  0.487676D+02 -0.118999D+02
      3  -0.318121D+00  0.943940D+01  0.167286D+02 -0.118999D+02  0.113373D+02
               106           107           108           109           110 
      1   0.190568D+02 -0.102290D+02  0.141857D+02 -0.614504D+01 -0.466573D+01
      2  -0.102290D+02  0.222064D+02 -0.559644D+01 -0.466573D+01  0.904469D+01
      3   0.141857D+02 -0.559644D+01  0.127962D+02 -0.768013D+01  0.853416D+00
               111           112           113           114           115 
      1  -0.768013D+01 -0.297112D+02  0.281494D+02 -0.196380D+02 -0.146572D+02
      2   0.853416D+00  0.281494D+02 -0.591885D+02  0.158497D+02  0.100528D+02
      3  -0.614324D+01 -0.196380D+02  0.158497D+02 -0.136750D+02 -0.121196D+02
               116           117           118           119           120 
      1   0.100528D+02 -0.121196D+02 -0.229729D+02  0.223877D+02 -0.135258D+02
      2  -0.184557D+02  0.480472D+01  0.223877D+02 -0.442950D+02  0.121403D+02
      3   0.480472D+01 -0.113599D+02 -0.135258D+02  0.121403D+02 -0.101554D+02
               121           122           123           124           125 
      1   0.683460D+01 -0.130106D+02  0.461997D+01 -0.992316D+01  0.109720D+02
      2  -0.130106D+02  0.199221D+02 -0.601706D+01  0.109720D+02 -0.171452D+02
      3   0.461997D+01 -0.601706D+01  0.378602D+01 -0.737525D+01  0.350373D+01
               126           127           128           129           130 
      1  -0.737525D+01  0.234926D+02 -0.104448D+02  0.792564D+01  0.303596D+01
      2   0.350373D+01 -0.104448D+02  0.786212D+02 -0.883827D+01  0.168971D+02
      3  -0.121985D+02  0.792564D+01 -0.883827D+01  0.343003D+01 -0.104853D+01
               131           132           133           134           135 
      1   0.168971D+02 -0.104853D+01  0.788868D+01  0.256755D+01  0.115799D+01
      2   0.198847D+02  0.405727D+01  0.256755D+01  0.286075D+02 -0.116127D+01
      3   0.405727D+01  0.223663D+00  0.115799D+01 -0.116127D+01  0.377442D+00
               136           137           138           139           140 
      1  -0.243747D+02  0.746219D+01 -0.730460D+01 -0.246645D+01 -0.110330D+02
      2   0.746219D+01 -0.794327D+02  0.106362D+02 -0.110330D+02 -0.165273D+02
      3  -0.730460D+01  0.106362D+02 -0.310219D+01 -0.129300D+00 -0.140993D+01
               141           142           143           144           145 
      1  -0.129300D+00 -0.623357D+01  0.569875D+00 -0.466912D+01 -0.120942D+02
      2  -0.140993D+01  0.569875D+00 -0.274922D+02  0.276138D+01 -0.517308D+00
      3  -0.317884D+00 -0.466912D+01  0.276138D+01 -0.251705D+01 -0.592307D+01
               146           147           148           149           150 
      1  -0.517308D+00 -0.592307D+01  0.137790D+02  0.316083D+01  0.101579D+02
      2  -0.166434D+02  0.318686D+00  0.316083D+01  0.445976D+02 -0.402248D+01
      3   0.318686D+00 -0.561510D+01  0.101579D+02 -0.402248D+01  0.836139D+01
               151           152           153           154           155 
      1   0.325607D+01  0.308059D+01 -0.335126D+01  0.170635D+02 -0.339770D+01
      2   0.308059D+01  0.625429D+01 -0.146661D+00 -0.339770D+01  0.204266D+02
      3  -0.335126D+01 -0.146661D+00 -0.460808D+01  0.138853D+02 -0.372268D+01
               156           157           158           159           160 
      1   0.138853D+02 -0.156269D+02 -0.286968D+01 -0.698616D+01  0.304402D+01
      2  -0.372268D+01 -0.286968D+01 -0.277863D+02  0.372480D+01 -0.739919D+00
      3   0.118206D+02 -0.698616D+01  0.372480D+01 -0.506936D+01  0.267967D+01
               161           162           163           164           165 
      1  -0.739919D+00  0.267967D+01  0.355679D+02  0.202599D+02 -0.227303D+01
      2   0.290225D+01 -0.600944D+01  0.202599D+02  0.381651D+02 -0.219712D+01
      3  -0.600944D+01 -0.235354D+00 -0.227303D+01 -0.219712D+01  0.795370D+00
               166           167           168           169           170 
      1  -0.203739D+02 -0.187181D+02  0.314635D+00 -0.498667D+01 -0.466858D+01
      2  -0.187181D+02 -0.566204D+02 -0.990014D+00 -0.466858D+01 -0.181004D+02
      3   0.314635D+00 -0.990014D+00 -0.670495D+00  0.233469D+00 -0.266485D+00
               171           172           173           174           175 
      1   0.233469D+00 -0.318568D+02 -0.194814D+02  0.320131D+01  0.259477D+02
      2  -0.266485D+00 -0.194814D+02 -0.364654D+02  0.291626D+01  0.244000D+02
      3  -0.488849D+00  0.320131D+01  0.291626D+01  0.162749D+00 -0.893696D+00
               176           177           178           179           180 
      1   0.244000D+02 -0.893696D+00  0.490758D+01  0.523011D+01 -0.187565D+01
      2   0.714240D+02 -0.174509D+01  0.523011D+01  0.165248D+02  0.132598D+01
      3  -0.174509D+01  0.522461D+00 -0.187565D+01  0.132598D+01  0.985849D+00
               181           182           183           184           185 
      1   0.144224D+02  0.963194D+01 -0.129835D+01  0.261645D+02  0.193186D+01
      2   0.963194D+01  0.157640D+02 -0.277973D+01  0.193186D+01  0.356862D+02
      3  -0.129835D+01 -0.277973D+01 -0.770819D+00  0.337980D+01 -0.626204D+01
               186           187           188           189           190 
      1   0.337980D+01  0.113085D+02  0.672021D+00 -0.314367D+01 -0.520640D+01
      2  -0.626204D+01  0.672021D+00  0.898254D+01  0.262147D+01 -0.478796D+01
      3   0.235068D+01 -0.314367D+01  0.262147D+01  0.547486D+00  0.231299D+01
               191           192           193           194           195 
      1  -0.478796D+01  0.231299D+01 -0.274455D+02  0.488105D+01 -0.768704D+00
      2   0.309135D+01 -0.199351D+01  0.488105D+01 -0.491582D+02  0.789723D+01
      3  -0.199351D+01 -0.520936D+00 -0.768704D+00  0.789723D+01 -0.165090D+01
               196           197           198           199           200 
      1  -0.559193D+01  0.233161D+01 -0.498314D+01 -0.154903D+02 -0.119360D+02
      2   0.233161D+01 -0.975762D+01 -0.810546D-01 -0.119360D+02 -0.119187D+02
      3  -0.498314D+01 -0.810546D-01 -0.228756D+01 -0.450417D+00  0.194286D+01
               201           202           203           204           205 
      1  -0.450417D+00 -0.424634D+02 -0.109734D+02  0.109950D+02 -0.197454D+02
      2   0.194286D+01 -0.109734D+02 -0.140160D+02  0.583188D+00 -0.400778D+01
      3   0.149380D+00  0.109950D+02  0.583188D+00 -0.233075D+01  0.367369D+01
               206           207           208           209           210 
      1  -0.400778D+01  0.367369D+01 -0.325064D+02 -0.183707D+02  0.582213D+01
      2  -0.844151D+01  0.176829D+00 -0.183707D+02 -0.472758D+02  0.805780D-01
      3   0.176829D+00 -0.217262D+01  0.582213D+01  0.805780D-01 -0.401563D+01
               211           212           213           214           215 
      1  -0.168590D+02 -0.191033D+02  0.296681D+01 -0.274182D+01 -0.327528D+01
      2  -0.191033D+02 -0.457487D+02  0.674029D+00 -0.327528D+01 -0.115209D+02
      3   0.296681D+01  0.674029D+00 -0.942633D+00 -0.465756D+01  0.176223D+01
               216           217           218           219           220 
      1  -0.465756D+01  0.477251D+02  0.183220D+02 -0.106923D+02 -0.557620D+01
      2   0.176223D+01  0.183220D+02  0.403513D+02 -0.972261D+00 -0.326109D+00
      3   0.245860D+01 -0.106923D+02 -0.972261D+00  0.449070D+01  0.241579D+01
               221           222           223           224           225 
      1  -0.326109D+00  0.241579D+01 -0.422451D+01 -0.505877D+00  0.351377D+01
      2   0.125680D+02 -0.139371D+01 -0.505877D+00  0.210002D+00  0.600832D+01
      3  -0.139371D+01 -0.164608D-01  0.351377D+01  0.600832D+01  0.169963D+01
               226           227           228           229           230 
      1  -0.105207D+02  0.203069D+01  0.530066D+01  0.481655D+02  0.151116D+02
      2   0.203069D+01  0.460651D+01 -0.344428D-01  0.151116D+02  0.179535D+02
      3   0.530066D+01 -0.344428D-01 -0.179000D+01 -0.123568D+02 -0.173177D+01
               231           232           233           234           235 
      1  -0.123568D+02  0.173143D+02  0.466957D+01 -0.511516D+01 -0.434329D+01
      2  -0.173177D+01  0.466957D+01  0.420227D+01  0.912066D+00 -0.704067D+01
      3   0.288006D+01 -0.511516D+01  0.912066D+00  0.270909D+01 -0.111311D+01
               236           237           238           239           240 
      1  -0.704067D+01 -0.111311D+01  0.418467D+01  0.367948D+01 -0.389386D+00
      2  -0.103366D+02  0.104439D+01  0.367948D+01  0.420810D+01 -0.251583D+01
      3   0.104439D+01  0.361787D+00 -0.389386D+00 -0.251583D+01  0.370516D+00
               241           242           243           244           245 
      1   0.451238D+01  0.346451D+01  0.154140D+01  0.153483D+02  0.535344D+01
      2   0.346451D+01  0.949342D+00  0.233762D+01  0.535344D+01  0.120222D+02
      3   0.154140D+01  0.233762D+01  0.199266D+01 -0.235522D+01  0.358370D+00
               246           247           248           249           250 
      1  -0.235522D+01  0.832341D+01 -0.429971D+01 -0.645126D+01  0.144364D+01
      2   0.358370D+00 -0.429971D+01 -0.396510D+01 -0.413871D+00 -0.454901D+01
      3   0.303169D+01 -0.645126D+01 -0.413871D+00  0.165938D+01  0.244298D+01
               251           252           253           254           255 
      1  -0.454901D+01  0.244298D+01  0.234645D+02  0.566433D+01 -0.666213D+01
      2  -0.624278D+01  0.237384D+01  0.566433D+01  0.603904D+01 -0.312887D+00
      3   0.237384D+01 -0.104815D+01 -0.666213D+01 -0.312887D+00  0.191770D+01
               256           257           258           259           260 
      1  -0.767594D+01  0.183709D+01  0.217016D+01 -0.731887D+01 -0.172181D+01
      2   0.183709D+01  0.382117D+01 -0.470285D+00 -0.172181D+01  0.568234D+00
      3   0.217016D+01 -0.470285D+00  0.101140D+01  0.469782D+01  0.103624D+01
               261           262           263           264           265 
      1   0.469782D+01 -0.275007D+02 -0.190030D+01  0.965942D+01 -0.158593D+01
      2   0.103624D+01 -0.190030D+01 -0.544195D+01 -0.128718D+01 -0.559944D+00
      3  -0.228686D+01  0.965942D+01 -0.128718D+01 -0.424311D+01  0.187629D+01
               266           267           268           269           270 
      1  -0.559944D+00  0.187629D+01  0.331173D+01  0.131532D+01 -0.129366D+01
      2  -0.206982D+01  0.106108D+01  0.131532D+01  0.465168D+01 -0.253623D+01
      3   0.106108D+01 -0.145601D+01 -0.129366D+01 -0.253623D+01 -0.763710D+00
               271           272           273           274           275 
      1   0.334060D+01 -0.451073D+01 -0.313612D-03 -0.298959D+01  0.482568D+01
      2  -0.451073D+01  0.685914D+01 -0.111234D+00  0.482568D+01 -0.968757D+01
      3  -0.313612D-03 -0.111234D+00  0.747953D+00  0.800532D+00 -0.107584D+01
               276           277           278           279           280 
      1   0.800532D+00  0.841160D+00  0.189895D-01  0.835247D+00 -0.729528D+00
      2  -0.107584D+01  0.189895D-01 -0.141217D+01 -0.749644D+00 -0.684717D+00
      3  -0.287047D+00  0.835247D+00 -0.749644D+00 -0.252784D-01 -0.102467D+01
               281           282           283           284           285 
      1  -0.684717D+00 -0.102467D+01 -0.114085D+00 -0.129230D+01 -0.286866D+00
      2  -0.202418D+01 -0.676021D+00 -0.129230D+01 -0.106838D+02 -0.496964D+01
      3  -0.676021D+00 -0.129310D+01 -0.286866D+00 -0.496964D+01 -0.308949D+01
               286           287           288           289           290 
      1  -0.962278D+00 -0.123920D+01 -0.695791D+00 -0.127435D+02 -0.361569D+01
      2  -0.123920D+01 -0.547028D+01 -0.368204D+01 -0.361569D+01 -0.953856D+00
      3  -0.695791D+00 -0.368204D+01 -0.215309D+01 -0.519862D+01 -0.131529D+01
               291           292           293           294           295 
      1  -0.519862D+01 -0.170929D+01 -0.216513D+01 -0.111574D+01 -0.504251D+01
      2  -0.131529D+01 -0.216513D+01  0.225875D+00 -0.942018D+00 -0.135016D+01
      3  -0.295590D+01 -0.111574D+01 -0.942018D+00 -0.911885D+00 -0.227379D+01
               296           297           298           299           300 
      1  -0.135016D+01 -0.227379D+01 -0.160340D+01 -0.242442D+01 -0.114902D+01
      2  -0.133574D+01 -0.106094D+01 -0.242442D+01 -0.159892D+01 -0.176995D+01
      3  -0.106094D+01 -0.124141D+01 -0.114902D+01 -0.176995D+01 -0.101589D+01
               301           302           303           304           305 
      1  -0.238099D+01 -0.396109D+01 -0.214041D+01 -0.110818D+01 -0.292479D+01
      2  -0.396109D+01 -0.103518D+02 -0.498032D+01 -0.292479D+01 -0.476093D+01
      3  -0.214041D+01 -0.498032D+01 -0.311578D+01 -0.135477D+01 -0.275767D+01
               306           307           308           309           310 
      1  -0.135477D+01 -0.951810D+01  0.616516D+01  0.325002D+00  0.682346D+01
      2  -0.275767D+01  0.616516D+01 -0.331212D+01 -0.678544D-01 -0.541664D+01
      3  -0.221839D+01  0.325002D+00 -0.678544D-01 -0.595423D+00 -0.611878D+00
               311           312           313           314           315 
      1  -0.541664D+01 -0.611878D+00  0.640030D+00 -0.910312D+00 -0.538583D+00
      2   0.589279D+01  0.597025D+00 -0.910312D+00  0.110917D+01 -0.101871D+00
      3   0.597025D+00  0.484475D+00 -0.538583D+00 -0.101871D+00  0.219312D+00
               316           317           318           319           320 
      1  -0.162793D+02 -0.767466D+00 -0.340509D+01 -0.214679D+01 -0.145878D+01
      2  -0.767466D+00 -0.247438D-01 -0.189609D+00 -0.145878D+01 -0.156312D+01
      3  -0.340509D+01 -0.189609D+00 -0.145823D+01 -0.867814D+00 -0.422128D+00
               321           322           323           324           325 
      1  -0.867814D+00 -0.439776D+01 -0.404199D+00 -0.119962D+01 -0.676157D+01
      2  -0.422128D+00 -0.404199D+00  0.634997D+00  0.308270D+00  0.507563D+01
      3  -0.335454D+00 -0.119962D+01  0.308270D+00 -0.659791D+00  0.157348D+01
               326           327           328           329           330 
      1   0.507563D+01  0.157348D+01  0.360390D+01 -0.563694D+01 -0.151033D+01
      2  -0.594462D+01 -0.136515D+01 -0.563694D+01  0.681763D+01  0.171791D+01
      3  -0.136515D+01 -0.908125D+00 -0.151033D+01  0.171791D+01  0.108732D+01
               331           332           333           334           335 
      1   0.117510D+01 -0.195892D+01 -0.184795D+00  0.114013D+01  0.191791D+01
      2  -0.195892D+01  0.103716D+01  0.115094D+01  0.191791D+01  0.258501D+01
      3  -0.184795D+00  0.115094D+01  0.262254D+00  0.187275D+00  0.429364D+00
               336           337           338           339           340 
      1   0.187275D+00  0.383145D+00  0.255730D+00  0.186301D+00 -0.512898D+00
      2   0.429364D+00  0.255730D+00  0.146336D+02  0.396817D+01 -0.226310D+00
      3   0.276309D+00  0.186301D+00  0.396817D+01  0.174110D+01 -0.170877D+00
               341           342           343           344           345 
      1  -0.226310D+00 -0.170877D+00  0.155886D+01  0.200524D+01  0.392762D+00
      2   0.480024D+01  0.137466D+01  0.200524D+01  0.283916D+01  0.602388D+00
      3   0.137466D+01  0.946110D+00  0.392762D+00  0.602388D+00  0.400870D+00
               346           347           348           349           350 
      1   0.140541D+01  0.369689D+01  0.117196D+01  0.738896D+00  0.100353D+01
      2   0.369689D+01  0.119704D+02  0.307982D+01  0.100353D+01  0.387219D+01
      3   0.117196D+01  0.307982D+01  0.148831D+01  0.274668D+00  0.151317D+01
               351           352           353           354           355 
      1   0.274668D+00  0.105936D+02  0.522309D+01 -0.465006D+00  0.350398D+01
      2   0.151317D+01  0.522309D+01  0.328351D+01 -0.203662D+00  0.271473D+01
      3   0.825032D+00 -0.465006D+00 -0.203662D+00  0.744316D+00  0.302455D+00
               356           357           358           359           360 
      1   0.271473D+01  0.302455D+00  0.241144D+00  0.423878D+00  0.167862D+00
      2   0.240525D+01  0.213695D+00  0.423878D+00  0.794999D+00  0.183004D+00
      3   0.213695D+00  0.322908D+00  0.167862D+00  0.183004D+00  0.260874D+00
               361           362           363           364           365 
      1   0.103383D+02 -0.259447D+01 -0.167612D+01  0.291923D+01  0.612123D+01
      2  -0.259447D+01  0.117370D+01  0.379468D+00  0.612123D+01 -0.253110D+01
      3  -0.167612D+01  0.379468D+00  0.188901D+01 -0.769494D+00 -0.251130D+01
               366           367           368           369           370 
      1  -0.769494D+00  0.739892D+00  0.117187D+01  0.552430D+01 -0.158334D+01
      2  -0.251130D+01  0.117187D+01 -0.718801D+00 -0.128541D+01 -0.809778D+00
      3  -0.989143D+00  0.552430D+01 -0.128541D+01 -0.700873D+01  0.276881D+00
               371           372           373           374           375 
      1  -0.809778D+00  0.276881D+00 -0.922965D+00 -0.580309D+00  0.450483D+00
      2  -0.168500D+01  0.396191D+00 -0.580309D+00 -0.258180D+01 -0.844402D-01
      3   0.396191D+00 -0.295450D+00  0.450483D+00 -0.844402D-01 -0.106223D+01
               376           377           378 
      1  -0.115534D+00 -0.392738D+00  0.171002D+00
      2  -0.392738D+00 -0.856458D+00 -0.372190D+00
      3   0.171002D+00 -0.372190D+00 -0.735427D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.689092D+01 -0.110318D+02  0.203952D+01 -0.633088D+01  0.130006D+02
      2   0.605784D+01 -0.764267D+01  0.295290D+01 -0.429552D+01  0.757788D+01
      3  -0.488664D+01  0.378212D+00  0.117093D+01  0.802155D+01 -0.667607D+01
                 6             7             8             9            10 
      1  -0.177110D+01 -0.119487D-02  0.269570D+01  0.408651D+01 -0.172465D+02
      2  -0.457253D+00  0.680347D+00  0.514060D+00  0.259223D+01  0.722311D+01
      3   0.225909D+01 -0.339640D+01 -0.522686D+01 -0.380356D+01  0.348544D+02
                11            12            13            14            15 
      1   0.142540D+02 -0.397743D+02 -0.118643D+02  0.192248D+02 -0.147374D+02
      2   0.955214D+01 -0.780770D+01  0.389766D+01  0.753532D+01  0.380042D+01
      3  -0.301180D+02  0.512398D+02  0.273963D+02 -0.351748D+02  0.169184D+02
                16            17            18            19            20 
      1  -0.193959D+02 -0.411792D+01 -0.518526D+01  0.170634D+02 -0.497247D+01
      2  -0.119485D+02  0.106767D+02  0.165951D+01  0.231709D+01 -0.895864D+01
      3   0.312161D+02 -0.238924D+02  0.311834D+02 -0.314692D+02  0.259930D+02
                21            22            23            24            25 
      1   0.221390D+02  0.158520D+02  0.113666D+02  0.230206D+01  0.121894D+02
      2   0.849109D+01 -0.227346D+01 -0.295336D+01 -0.648304D+01 -0.431505D+01
      3  -0.382813D+02 -0.187029D+02 -0.353008D+02 -0.883391D+01 -0.323556D+02
                26            27            28            29            30 
      1  -0.637807D+01  0.291867D+02  0.310192D+01 -0.236242D+01  0.263272D+01
      2   0.372155D+01  0.952653D+01  0.291283D+00 -0.213020D+01 -0.162335D+00
      3   0.269570D+02 -0.478002D+02 -0.435137D+01  0.375865D+01 -0.570891D+01
                31            32            33            34            35 
      1   0.443514D+01  0.131085D+02  0.175247D+02  0.759919D+01  0.158080D+02
      2  -0.587618D-01  0.159420D+01  0.759457D+01 -0.331289D+01  0.231823D+01
      3  -0.232097D+01 -0.804008D+01 -0.161524D+02 -0.340596D+01 -0.119795D+02
                36            37            38            39            40 
      1   0.193112D+02  0.194988D+02  0.702138D+01  0.783794D+01  0.125215D+02
      2   0.240097D+01 -0.642591D+01  0.121578D+01 -0.162447D+01 -0.118033D+02
      3  -0.127323D+02 -0.358054D+02 -0.118748D+02 -0.194441D+02 -0.367847D+02
                41            42            43            44            45 
      1  -0.176573D+02  0.773655D+01  0.142296D+02 -0.974342D+01  0.354328D+02
      2  -0.486126D+01 -0.124972D+01  0.243657D+01 -0.827692D+01  0.135572D+02
      3   0.375428D+02 -0.211835D+02 -0.338322D+02  0.569231D+02 -0.371809D+02
                46            47            48            49            50 
      1   0.101392D+02  0.556472D+00  0.915118D+01  0.268906D+01  0.651589D+00
      2  -0.997640D+01  0.629629D+00 -0.161146D+01  0.398109D+01 -0.171797D+01
      3  -0.193922D+02  0.501347D+00 -0.144130D+02  0.162491D+00 -0.846319D+00
                51            52            53            54            55 
      1   0.462790D+01  0.113808D+02  0.167657D+01  0.106808D+02 -0.238085D+02
      2   0.328788D+01 -0.759887D+01  0.829361D+00 -0.253019D+01 -0.111340D+02
      3  -0.309823D+01 -0.177898D+02 -0.250340D+01 -0.159303D+02  0.156718D+02
                56            57            58            59            60 
      1   0.232583D+02 -0.184369D+02 -0.264703D+02  0.101172D+02 -0.266081D+02
      2   0.201291D+02  0.347841D+01  0.708888D-01  0.130215D+02 -0.628192D+00
      3  -0.372231D+02  0.194651D+02  0.350451D+02 -0.274224D+02  0.352000D+02
                61            62            63            64            65 
      1  -0.323533D+02  0.372343D+02 -0.340289D+02 -0.535953D+01  0.498044D+01
      2  -0.428035D+01  0.129771D+02 -0.200032D+02 -0.819727D+01  0.600327D+01
      3   0.721930D+02 -0.734501D+02  0.524351D+02 -0.103242D+02  0.395378D+01
                66            67            68            69            70 
      1   0.339497D+00  0.740021D+01 -0.873077D+01 -0.259374D+01  0.807469D+00
      2   0.245631D-01  0.928987D+01 -0.923585D+01 -0.194024D+01 -0.123138D+01
      3  -0.354234D+00  0.882235D+01 -0.451767D+01  0.559119D+00 -0.426918D+00
                71            72            73            74            75 
      1  -0.250903D+01 -0.157067D+01  0.529168D+02 -0.343829D+02  0.566276D+02
      2  -0.630004D+00 -0.128116D+01  0.187296D+02 -0.121453D+02  0.193533D+02
      3   0.268826D+01  0.591536D+00 -0.103131D+03  0.833451D+02 -0.974614D+02
                76            77            78            79            80 
      1  -0.886029D+02 -0.213357D+02 -0.109099D+03 -0.449187D+01 -0.230886D+02
      2  -0.723024D+01 -0.278614D+02 -0.141072D+02 -0.682946D+01 -0.166319D+02
      3   0.162090D+03 -0.355081D+02  0.199958D+03  0.294239D+02  0.328465D+02
                81            82            83            84            85 
      1  -0.179537D+02  0.579541D+02 -0.207731D+02  0.583254D+02  0.209650D+02
      2  -0.137970D+02  0.271840D+02 -0.807086D+01  0.200056D+02  0.948808D+01
      3   0.430432D+02 -0.180835D+03  0.180253D+03 -0.117332D+03 -0.678925D+02
                86            87            88            89            90 
      1   0.226141D+02  0.286700D+02  0.736536D+02 -0.209163D+02  0.838355D+02
      2   0.183385D+02  0.116575D+02  0.114278D+01  0.532328D+01  0.921719D+01
      3   0.753741D+01 -0.748343D+02 -0.115953D+03  0.114843D+03 -0.154789D+03
                91            92            93            94            95 
      1  -0.558145D+02 -0.977412D+01 -0.643555D+02  0.360462D+02  0.128174D+01
      2   0.234328D+02 -0.229464D+02  0.148322D+02  0.562159D+00  0.538629D+01
      3   0.109786D+03 -0.549063D+02  0.111286D+03 -0.802443D+02  0.243997D+02
                96            97            98            99           100 
      1   0.443446D+02 -0.304309D-01 -0.138173D+02 -0.354909D+01  0.164382D+02
      2  -0.411498D+01  0.273546D+01 -0.996183D+01 -0.602397D+01 -0.550294D+01
      3  -0.929838D+02  0.650345D+00  0.395983D+02  0.450907D+01 -0.366875D+02
               101           102           103           104           105 
      1   0.115585D+02  0.235881D+02  0.748589D+02 -0.496804D+02  0.413024D+02
      2   0.151094D+02  0.175939D+01  0.159890D+02 -0.394102D+01  0.443476D+01
      3  -0.549126D+02 -0.461319D+02 -0.199816D+03  0.279944D+03 -0.102443D+03
               106           107           108           109           110 
      1   0.412789D+02 -0.690105D+01  0.345770D+02 -0.236843D+02 -0.273585D+02
      2  -0.156435D+02  0.165128D+00 -0.149693D+02  0.251775D+01 -0.257764D+02
      3  -0.907455D+02  0.167896D+03 -0.729854D+02  0.682237D+02  0.591164D+02
               111           112           113           114           115 
      1  -0.264434D+02 -0.111586D+03  0.943008D+02 -0.709592D+02 -0.536251D+02
      2  -0.571641D+01 -0.262565D+02  0.363079D+02 -0.130043D+02 -0.300021D+02
      3   0.659180D+02  0.272563D+03 -0.451621D+03  0.175892D+03  0.130873D+03
               116           117           118           119           120 
      1   0.400209D+02 -0.443056D+02 -0.783765D+02  0.726259D+02 -0.548169D+02
      2   0.171673D+02 -0.131847D+02 -0.194518D+02  0.243755D+02 -0.108622D+02
      3  -0.154949D+03  0.927240D+02  0.224286D+03 -0.335640D+03  0.149324D+03
               121           122           123           124           125 
      1   0.343333D+02 -0.467146D+02  0.209511D+02 -0.433904D+02  0.291912D+02
      2   0.162804D+02 -0.260254D+02  0.823101D+01 -0.222361D+02  0.205379D+02
      3  -0.671821D+02  0.183815D+03 -0.464776D+02  0.854278D+02 -0.142166D+03
               126           127           128           129           130 
      1  -0.582011D+02  0.585402D+02 -0.943133D+02  0.250654D+02 -0.323173D+01
      2  -0.151841D+02  0.117272D+02 -0.471778D+02  0.665742D+01 -0.158403D+02
      3   0.742882D+02 -0.649570D+02  0.463200D+03 -0.514300D+02  0.107453D+03
               131           132           133           134           135 
      1  -0.214866D+02  0.208042D+01  0.813243D+01 -0.109399D+02 -0.527508D+01
      2  -0.204604D+02 -0.186830D+01 -0.190661D+02 -0.186880D+02 -0.595919D+01
      3   0.923755D+02  0.179566D+02  0.411532D+02  0.173171D+03 -0.208843D+01
               136           137           138           139           140 
      1  -0.637697D+02  0.124209D+03 -0.317179D+02  0.903152D+01  0.201184D+02
      2  -0.125672D+02  0.874043D+02 -0.115919D+02  0.265879D+02  0.246376D+02
      3   0.686913D+02 -0.612873D+03  0.828757D+02 -0.933702D+02 -0.123218D+03
               141           142           143           144           145 
      1  -0.111234D+01 -0.145596D+02  0.711494D+02 -0.740188D+01 -0.215872D+02
      2   0.584731D+01  0.766180D+00  0.369897D+02 -0.896315D+00 -0.996924D+01
      3  -0.146608D+02 -0.171850D+02 -0.208054D+03  0.153830D+02  0.531692D+02
               146           147           148           149           150 
      1   0.638979D+01 -0.201184D+02  0.399623D+02 -0.839667D+02  0.362891D+02
      2   0.149078D+02  0.205016D+01 -0.126483D+02 -0.602127D+02 -0.449256D+00
      3  -0.112145D+03  0.315708D+02 -0.272983D+00  0.342787D+03 -0.568331D+02
               151           152           153           154           155 
      1  -0.145455D+02  0.123495D+02 -0.108441D+02  0.609523D+02 -0.263490D+02
      2   0.110837D+02 -0.869609D+01  0.942238D+01  0.209942D+02 -0.265823D+02
      3   0.794821D+01  0.573482D+02  0.120613D+02 -0.126941D+03  0.172219D+03
               156           157           158           159           160 
      1   0.501624D+02 -0.266662D+02  0.407358D+02 -0.259095D+02  0.788599D+01
      2   0.107199D+02  0.852275D+00  0.166639D+02 -0.154717D+01 -0.719496D+01
      3  -0.101780D+03  0.330158D+02 -0.190219D+03  0.494402D+02 -0.545179D+02
               161           162           163           164           165 
      1  -0.918712D+01  0.107566D+02 -0.106441D+02 -0.583912D+02  0.343592D+01
      2   0.336093D+02  0.101491D+02 -0.132690D+02 -0.205528D+02 -0.534695D+00
      3   0.235470D+02 -0.657911D+02  0.156825D+03  0.227560D+03 -0.999353D+01
               166           167           168           169           170 
      1  -0.588281D+01  0.488958D+02 -0.208661D+01 -0.100506D+02  0.454597D+02
      2   0.241745D+02  0.310534D+02  0.259515D+01 -0.190600D+02  0.146306D+02
      3  -0.155831D+03 -0.289073D+03 -0.978667D+01 -0.651142D+01 -0.112979D+03
               171           172           173           174           175 
      1  -0.829555D+01  0.276110D+02  0.648043D+02 -0.610226D+00  0.586852D+01
      2   0.218268D+01  0.481605D+02  0.366838D+02 -0.511053D+00 -0.176210D+02
      3   0.436844D+01 -0.260749D+03 -0.289835D+03  0.198738D+02  0.199594D+03
               176           177           178           179           180 
      1  -0.887033D+02  0.109205D+02  0.145985D+02 -0.254666D+01  0.241413D+01
      2  -0.696689D+02  0.117208D+01 -0.129114D+02 -0.311692D+02 -0.530641D+01
      3   0.505037D+03 -0.162029D+02  0.164062D+02  0.128636D+03 -0.294627D+01
               181           182           183           184           185 
      1  -0.233346D+02 -0.382205D+02  0.229937D+01  0.303899D+01 -0.618210D+02
      2  -0.306871D+02 -0.140574D+02  0.504272D+01 -0.201420D+02 -0.283814D+02
      3   0.152357D+03  0.142087D+03 -0.202177D+02  0.834452D+02  0.274547D+03
               186           187           188           189           190 
      1   0.523372D+01  0.189764D+02 -0.937989D+01 -0.178543D+01  0.124006D+02
      2  -0.153064D+01 -0.155452D+01 -0.485673D+02 -0.680862D+01  0.633629D+01
      3  -0.390971D+02  0.288664D+02  0.778911D+02  0.110954D+02 -0.606339D+02
               191           192           193           194           195 
      1  -0.115914D+02  0.467540D+01 -0.364988D+02  0.745036D+02 -0.154107D+02
      2  -0.694855D+01  0.809054D+01 -0.134415D+02  0.545751D+02 -0.790854D+01
      3   0.355026D+02 -0.162940D+02 -0.170195D+00 -0.387836D+03  0.650766D+02
               196           197           198           199           200 
      1  -0.118734D+01  0.453638D+02  0.388625D+01  0.229978D+01  0.212974D+02
      2   0.198065D+02  0.268637D+02  0.936485D+01 -0.927566D+01 -0.371771D+01
      3  -0.648736D+01 -0.652076D+02 -0.920240D+01 -0.378910D+02 -0.582034D+02
               201           202           203           204           205 
      1   0.709221D+00  0.102907D+02  0.254900D+02 -0.346428D+01 -0.361149D+00
      2  -0.467936D+00  0.216137D+02  0.427435D+01 -0.389833D+01 -0.598970D+01
      3  -0.155686D+01 -0.239647D+03 -0.950153D+02  0.606522D+02 -0.106778D+03
               206           207           208           209           210 
      1   0.263372D+02  0.327469D+01  0.252308D+01  0.608768D+02  0.288037D+01
      2  -0.204111D+01  0.364960D+01  0.312940D+02  0.479380D+02 -0.510261D+00
      3  -0.794542D+02  0.256407D+02 -0.250948D+03 -0.335927D+03  0.415382D+02
               211           212           213           214           215 
      1  -0.124013D+02  0.529408D+02 -0.859741D+01  0.319548D+02  0.225740D+02
      2   0.172242D+02  0.577001D+02 -0.289225D+01  0.103228D+01 -0.322067D+01
      3  -0.144952D+03 -0.353564D+03  0.252539D+02 -0.342478D+02 -0.770570D+02
               216           217           218           219           220 
      1  -0.772569D+01 -0.450770D+01 -0.615526D+02  0.238052D+01  0.807548D+01
      2  -0.445160D+00 -0.462661D+02 -0.313365D+02  0.843887D+01  0.118688D+02
      3  -0.186010D+02  0.362210D+03  0.269834D+03 -0.795176D+02 -0.416161D+02
               221           222           223           224           225 
      1   0.509857D+01 -0.552026D+01 -0.129353D+02 -0.234075D+02 -0.115133D+02
      2  -0.101869D+02 -0.356745D+01 -0.225244D+02 -0.192546D+02 -0.795113D+01
      3   0.699900D+02  0.145987D+02 -0.366960D+02  0.131660D+02  0.497300D+02
               226           227           228           229           230 
      1   0.460268D+00 -0.619703D+01 -0.116130D+01  0.115769D-01 -0.427988D+02
      2  -0.461234D+00 -0.222489D+02 -0.302239D+01 -0.404573D+02 -0.986176D+01
      3  -0.686003D+02  0.985351D+02  0.250068D+02  0.372741D+03  0.152719D+03
               231           232           233           234           235 
      1   0.757242D+01 -0.542539D+01 -0.436138D+01 -0.242100D+01 -0.108049D+01
      2   0.118962D+02 -0.354646D+02 -0.964730D+01  0.893005D+01  0.107559D+02
      3  -0.101627D+03  0.124578D+03  0.423615D+02 -0.346415D+02 -0.563994D+02
               236           237           238           239           240 
      1   0.110920D+02 -0.810108D+00 -0.232877D+00  0.550051D+00 -0.206096D+01
      2   0.256511D+02 -0.302948D+01  0.443143D+00 -0.498805D+01  0.128023D+01
      3  -0.129784D+03  0.123252D+02  0.375880D+02  0.187192D+02 -0.658798D+01
               241           242           243           244           245 
      1  -0.112252D+02 -0.115839D+02 -0.758616D+01 -0.176306D+01 -0.138687D+02
      2  -0.224018D+02  0.298208D+00  0.112228D+02 -0.837547D+01 -0.127225D+02
      3   0.360750D+02  0.464794D+02 -0.266854D+01  0.877437D+02  0.724136D+02
               246           247           248           249           250 
      1  -0.700977D+01  0.168860D+02  0.439264D+01 -0.296116D+01 -0.143863D+02
      2   0.836108D+01  0.950335D+00  0.173750D+01 -0.500855D+01  0.735202D+01
      3  -0.148142D+02  0.124900D+02 -0.461592D+02 -0.845809D+01 -0.306291D+01
               251           252           253           254           255 
      1   0.479974D+01  0.780583D+01  0.673440D+01  0.554701D+01 -0.599186D+01
      2   0.142151D+02 -0.526100D+01 -0.324421D+02 -0.945042D+01  0.477475D+01
      3  -0.385256D+02  0.218304D+02  0.192803D+03  0.634865D+02 -0.665929D+02
               256           257           258           259           260 
      1   0.519240D+01 -0.926284D+01 -0.570351D+01 -0.108884D+02  0.746194D+01
      2  -0.578721D+01 -0.980195D+00  0.107186D+02 -0.116585D+02 -0.440706D+01
      3  -0.279546D+01  0.250232D+02 -0.154764D+02 -0.342952D+02 -0.200080D+02
               261           262           263           264           265 
      1   0.100356D+02 -0.732525D+01  0.146844D+01  0.535914D+01 -0.562055D+01
      2   0.709882D+01  0.183916D+02  0.132014D+02 -0.243051D+01  0.631963D+01
      3   0.174067D+02 -0.183718D+03 -0.567242D+02  0.596367D+02 -0.832800D+01
               266           267           268           269           270 
      1  -0.364136D+01 -0.832495D-01  0.348329D+01  0.716596D+01  0.370715D+01
      2   0.158714D+01 -0.523328D+01 -0.115960D+02 -0.528814D+01 -0.335957D+01
      3   0.183852D+02  0.137506D+02 -0.348350D+01 -0.849912D+01  0.119616D+02
               271           272           273           274           275 
      1   0.216018D+01 -0.269208D+01  0.561944D+01  0.327440D+01 -0.371617D+01
      2   0.119215D+01 -0.141678D+01  0.266287D+01 -0.595143D+00  0.156701D+01
      3  -0.184592D+02  0.201661D+02 -0.229217D+01  0.171025D+02 -0.240883D+02
               276           277           278           279           280 
      1  -0.201964D+01  0.278194D+01 -0.560479D-01  0.182490D-01 -0.500198D+01
      2  -0.932077D+00  0.142328D+01 -0.343526D-01  0.482448D+00 -0.151270D+01
      3  -0.611489D+01 -0.987590D+01  0.275962D+01 -0.653662D+01  0.565214D+01
               281           282           283           284           285 
      1  -0.900131D+00 -0.668489D+01 -0.642607D+00 -0.125049D+02 -0.122122D+02
      2   0.505274D+00 -0.657907D+00 -0.110012D+01  0.177988D+01  0.200631D+01
      3  -0.402909D+01  0.674702D+01 -0.111997D+00 -0.336138D+01 -0.388777D+01
               286           287           288           289           290 
      1  -0.117933D+01 -0.948459D+01 -0.601458D+01 -0.892332D+01 -0.356884D+00
      2  -0.164058D+01  0.224221D+00  0.154575D+01  0.210170D+01  0.663733D+00
      3   0.702212D+01  0.187942D+01 -0.592010D+00  0.118186D+02  0.642741D+00
               291           292           293           294           295 
      1  -0.584617D+01  0.644776D-01 -0.233740D+01 -0.136085D+01 -0.179188D+01
      2   0.728945D+01  0.385035D+01 -0.148891D+01  0.282256D+01 -0.128323D+01
      3   0.550497D+01 -0.630228D+01  0.110640D+02 -0.158285D+01  0.586711D+01
               296           297           298           299           300 
      1  -0.153978D+01 -0.419191D+00  0.218824D+00 -0.373664D+01 -0.894380D+00
      2   0.134266D+01  0.260312D+01  0.280203D+01  0.181696D+01  0.346457D+01
      3  -0.286135D+01 -0.115320D+01 -0.632880D+01  0.409738D+01 -0.560371D+01
               301           302           303           304           305 
      1  -0.132971D+01  0.158788D+00 -0.508160D+01  0.129544D+01  0.123060D+01
      2   0.203782D+01  0.133707D+02  0.836290D+01  0.261017D+01  0.213758D+01
      3  -0.350949D+01 -0.298585D+02 -0.131784D+02 -0.708972D+01 -0.790432D+01
               306           307           308           309           310 
      1  -0.313658D+01 -0.386976D+01  0.461342D+00  0.271359D+01  0.409747D+01
      2   0.487394D+01 -0.397284D+01 -0.307285D+00  0.434734D+01  0.409243D+01
      3  -0.539544D+01  0.139859D+02 -0.457172D+01  0.719192D-01 -0.112190D+02
               311           312           313           314           315 
      1  -0.528366D+01 -0.330668D+01 -0.409236D+00  0.742056D+00 -0.334827D+00
      2  -0.713041D+01 -0.426612D+01 -0.191846D+00  0.275419D+01 -0.517795D+00
      3   0.240983D+02  0.286669D+01 -0.250568D+01  0.545903D+01 -0.297597D+01
               316           317           318           319           320 
      1   0.116473D+01  0.296867D+00  0.293470D+00  0.845260D+00  0.351232D+01
      2   0.768520D+01 -0.186890D+00  0.855587D+01  0.399606D+01  0.452554D+01
      3  -0.168216D+02 -0.127655D+01 -0.473184D+01 -0.817024D+01 -0.144563D+02
               321           322           323           324           325 
      1  -0.415940D-01 -0.220445D+00 -0.935969D+00 -0.673346D+00 -0.210419D+01
      2   0.233573D+01 -0.754933D-01 -0.221224D+01  0.170660D+01  0.240581D+01
      3  -0.318287D+01 -0.596504D+01  0.627513D+00  0.204171D+01 -0.162475D+02
               326           327           328           329           330 
      1   0.299314D+01  0.399016D+01  0.440198D+01 -0.110094D+01 -0.483594D+01
      2   0.453774D+00  0.320744D+01  0.185004D+01  0.147686D+00 -0.307324D+01
      3  -0.198499D+01  0.205211D+01 -0.181575D+01 -0.456356D+01 -0.138818D+01
               331           332           333           334           335 
      1  -0.307547D+01 -0.182153D+01 -0.112575D+01 -0.121683D+01 -0.159605D+01
      2  -0.106290D+01  0.157715D+00 -0.148821D+01 -0.283458D+01 -0.285937D+01
      3  -0.166756D+01 -0.776073D+01  0.486475D+01  0.144226D+02  0.149032D+02
               336           337           338           339           340 
      1  -0.117422D+01 -0.120628D+01 -0.915856D+01 -0.860205D+01  0.302263D+01
      2   0.109129D+00 -0.160147D+01 -0.791978D+01 -0.257995D+01  0.166947D+01
      3   0.471782D+00  0.457083D+01  0.297418D+02  0.101129D+02 -0.453229D+01
               341           342           343           344           345 
      1   0.252128D+01 -0.287572D+01 -0.127173D+01 -0.108664D+01 -0.168854D+01
      2  -0.347302D+00 -0.301508D+00  0.941552D+00  0.639554D-01  0.545269D+00
      3   0.566087D+01  0.185286D+00  0.107635D+01  0.222464D+01  0.198004D+01
               346           347           348           349           350 
      1  -0.314746D+01 -0.801735D+01 -0.812007D+01 -0.634197D+00 -0.196147D+01
      2   0.185119D+00  0.371300D+01  0.263679D+01 -0.172610D+00  0.553489D+00
      3   0.365399D+01  0.432858D-01  0.906012D+00  0.332315D+01 -0.246354D+01
               351           352           353           354           355 
      1  -0.297907D+01 -0.727579D+00 -0.544025D+00 -0.289333D+01 -0.276315D+01
      2   0.456667D+00 -0.152106D+01 -0.673116D+00  0.448117D+01  0.244873D+01
      3   0.136071D-01  0.325434D+02  0.101187D+02 -0.203591D+01  0.665383D+01
               356           357           358           359           360 
      1  -0.139177D+01 -0.116725D+01  0.126724D+01 -0.605725D-01 -0.768041D+00
      2   0.137715D+01  0.132629D+01 -0.104991D+01 -0.118716D+01  0.595948D+00
      3   0.257782D+01  0.221468D+01 -0.409617D+01  0.958523D+00 -0.209043D-01
               361           362           363           364           365 
      1   0.238894D+01 -0.558565D+01 -0.107796D+01  0.255175D-01  0.101225D+02
      2   0.823825D+01  0.486196D+01  0.137298D+02 -0.354583D+01 -0.606078D+01
      3  -0.274884D+01 -0.403150D+02  0.484863D+01  0.228532D+02  0.425613D+02
               366           367           368           369           370 
      1  -0.607913D+01 -0.925880D+01  0.134702D+02  0.848030D+01 -0.404630D-01
      2  -0.549294D+01 -0.290165D+01 -0.775469D+01 -0.119184D+02 -0.227800D+01
      3  -0.432176D+01  0.185645D+02  0.201476D+02  0.196319D+02  0.148983D+01
               371           372           373           374           375 
      1   0.394584D+01 -0.759104D+00 -0.349351D+00  0.605217D+01 -0.105259D+01
      2  -0.218546D+01  0.117675D+00 -0.335610D+01 -0.453519D+01  0.226704D+00
      3   0.506804D+00  0.201468D+01  0.906099D+01  0.143268D+02 -0.557826D+00
               376           377           378 
      1   0.160074D+01  0.503274D+01 -0.454935D+00
      2  -0.808514D+00 -0.706742D+00 -0.716137D+00
      3  -0.268502D+01  0.309659D+01  0.284535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.215010D+01 -0.325699D+01  0.234829D+01  0.171548D+01 -0.523425D+00
      2  -0.196361D+01  0.222404D+01  0.310357D+01  0.200418D+01 -0.173737D+01
      3  -0.186492D+00  0.103295D+01 -0.545187D+01 -0.371966D+01  0.226080D+01
      4   0.403897D+00 -0.874414D+00  0.596480D+00  0.276826D+00 -0.306880D+00
      5  -0.716366D+01  0.696378D+01  0.306653D+01  0.646176D+01 -0.813964D+01
      6   0.323286D+01 -0.479355D+01 -0.770087D+00 -0.267894D+01  0.602272D+01
                 6             7             8             9            10 
      1  -0.357322D+01  0.204177D+01 -0.354728D+01 -0.470959D+00 -0.775378D+01
      2  -0.474115D+01  0.822793D+00 -0.145518D+01 -0.242933D+01  0.124234D+02
      3   0.831437D+01 -0.286456D+01  0.500246D+01  0.290029D+01 -0.466961D+01
      4   0.829149D+00  0.110773D+01  0.696361D+00  0.312025D-01  0.183738D+02
      5  -0.500564D+01  0.235327D+01 -0.512478D+00 -0.441594D+01 -0.267688D+02
      6   0.338295D+01 -0.679740D+00  0.232096D+01  0.356335D+01  0.120112D+02
                11            12            13            14            15 
      1   0.652261D+01  0.158191D+02 -0.895346D+01  0.103901D+01 -0.671956D+01
      2   0.464235D+01  0.345723D+02  0.141082D+02 -0.251703D+00  0.142874D+02
      3  -0.111650D+02 -0.503914D+02 -0.515471D+01 -0.787304D+00 -0.756788D+01
      4  -0.138846D+00  0.589802D+01  0.664431D+01  0.151661D+02  0.656899D+01
      5   0.844365D+01  0.294710D+01 -0.161969D+02  0.383460D+01 -0.110949D+01
      6  -0.677020D+01  0.158253D+02  0.133958D+02  0.360634D+01  0.135564D+02
                16            17            18            19            20 
      1  -0.562691D+01 -0.181354D+01 -0.552335D+00  0.160095D+02 -0.979421D+01
      2   0.305306D+02 -0.269028D+01  0.259856D+02 -0.123713D+02  0.227181D+01
      3  -0.249037D+02  0.450382D+01 -0.254333D+02 -0.363815D+01  0.752240D+01
      4   0.103752D+02 -0.200666D+01  0.235514D+02 -0.216074D+02  0.932566D+01
      5  -0.129883D+02  0.219745D+02 -0.288070D+02  0.222915D+02 -0.249803D+02
      6   0.232679D+02 -0.131843D+02  0.205781D+02 -0.179112D+02  0.165043D+02
                21            22            23            24            25 
      1   0.144260D+02 -0.181634D+01  0.156938D+02  0.128459D+02  0.123607D+01
      2   0.577974D+01 -0.199246D+02 -0.784610D+01 -0.113711D+02 -0.205876D+02
      3  -0.202058D+02  0.217409D+02 -0.784767D+01 -0.147479D+01  0.193516D+02
      4  -0.161926D+02  0.902409D+01 -0.483589D+01 -0.174385D+01 -0.158648D+02
      5   0.167949D+01  0.166132D+02  0.118160D+02  0.197200D+02  0.224663D+02
      6   0.268030D+00  0.302756D+01 -0.121815D+02 -0.780461D+01 -0.219630D+02
                26            27            28            29            30 
      1   0.590089D+01 -0.271294D+02 -0.223692D+01  0.771576D+00 -0.351619D+01
      2   0.115039D+02 -0.455416D+02 -0.824405D+01 -0.142108D+01 -0.106759D+02
      3  -0.174048D+02  0.726710D+02  0.104810D+02  0.649502D+00  0.141921D+02
      4  -0.781267D+00 -0.182474D+02  0.782139D+00  0.282173D+01  0.912343D+00
      5  -0.201675D+02  0.119081D+02  0.697562D+01  0.337453D+01  0.137087D+02
      6   0.483709D+01 -0.465402D+02  0.131479D+01  0.197647D+01 -0.174016D+01
                31            32            33            34            35 
      1  -0.443379D+01 -0.124605D+02 -0.247493D+02 -0.554542D+01 -0.112087D+02
      2  -0.663278D+01 -0.115807D+02 -0.277455D+02 -0.114775D+02 -0.145605D+02
      3   0.110666D+02  0.240412D+02  0.524948D+02  0.170229D+02  0.257693D+02
      4   0.423402D+01  0.692360D+01  0.927048D+01  0.400540D+01  0.506134D+01
      5   0.535104D+01  0.606109D+01  0.101795D+02  0.113929D+02  0.871283D+01
      6   0.692847D+01  0.155496D+02  0.210515D+02  0.711432D+01  0.115791D+02
                36            37            38            39            40 
      1  -0.261362D+02 -0.170388D+01  0.907516D+01 -0.765080D+01  0.276099D+02
      2  -0.348125D+02 -0.834356D+01 -0.179779D+02 -0.118277D+02 -0.166692D+02
      3   0.609488D+02  0.100474D+02  0.890271D+01  0.194785D+02 -0.109407D+02
      4   0.102215D+02 -0.267763D+01  0.711174D+01  0.331574D+01 -0.331985D+02
      5   0.190961D+02 -0.195043D+01  0.121561D+02  0.736363D+00  0.184168D+02
      6   0.220350D+02  0.459313D+01 -0.121302D+01  0.561808D+01 -0.222363D+02
                41            42            43            44            45 
      1  -0.137168D+02  0.138397D+02 -0.254076D+02  0.660475D+01 -0.496976D+02
      2   0.216585D+01  0.142727D+02  0.100621D+01  0.213390D+01 -0.161119D+02
      3   0.115509D+02 -0.281124D+02  0.244014D+02 -0.873866D+01  0.658094D+02
      4   0.128266D+02 -0.163965D+02 -0.340027D+02  0.242190D+02 -0.263203D+02
      5  -0.224356D+02 -0.673904D+01  0.671366D+01 -0.254284D+02  0.151301D+02
      6   0.182507D+02  0.562569D+01 -0.401005D+02  0.402552D+02 -0.504188D+02
                46            47            48            49            50 
      1   0.258106D+02 -0.198988D+01  0.104169D+02 -0.408746D+01  0.134497D+01
      2  -0.478179D+02  0.759307D+01 -0.391447D+02 -0.233735D+01 -0.299446D+01
      3   0.220073D+02 -0.560318D+01  0.287277D+02  0.642481D+01  0.164949D+01
      4  -0.267277D+02  0.974387D+01 -0.206012D+02  0.100180D+02 -0.392585D+01
      5   0.687835D+02 -0.132462D+02  0.574033D+02 -0.235175D+01  0.721273D+01
      6  -0.269390D+02  0.106964D+02 -0.255071D+02  0.761699D+01 -0.400016D+01
                51            52            53            54            55 
      1  -0.418488D+01  0.127370D+02 -0.453501D+00  0.635311D+01  0.213878D+02
      2  -0.697876D+01 -0.381728D+02  0.305005D+01 -0.373414D+02 -0.715666D+01
      3   0.111636D+02  0.254358D+02 -0.259655D+01  0.309883D+02 -0.142312D+02
      4   0.662885D+01 -0.131503D+02  0.444693D+01 -0.119879D+02  0.167898D+02
      5   0.193341D+01  0.505133D+02 -0.618066D+01  0.489881D+02 -0.662055D+00
      6   0.470564D+01 -0.156386D+02  0.569943D+01 -0.160360D+02  0.159925D+02
                56            57            58            59            60 
      1   0.440141D-01  0.156104D+02  0.914769D+01 -0.187722D+02  0.176024D+02
      2   0.144198D+01 -0.719123D+01  0.257245D+02  0.383517D+00  0.830234D+01
      3  -0.148599D+01 -0.841921D+01 -0.348722D+02  0.183887D+02 -0.259047D+02
      4  -0.165933D+02  0.167134D+02  0.107039D+02 -0.130094D+01  0.280750D+02
      5   0.132524D+02  0.577978D+01 -0.268494D+02  0.218769D+02 -0.222653D+02
      6  -0.228518D+02  0.109962D+02  0.318283D+02 -0.352049D+02  0.413868D+02
                61            62            63            64            65 
      1  -0.972460D+01  0.198034D+02  0.168531D+02  0.122918D+02 -0.425109D+01
      2   0.307911D+02 -0.243127D+02  0.184629D+02  0.124555D+02 -0.174928D+02
      3  -0.210665D+02  0.450934D+01 -0.353160D+02 -0.247473D+02  0.217439D+02
      4   0.391674D+02 -0.213230D+01  0.191642D+02 -0.486805D+02  0.445414D+02
      5  -0.217455D+02  0.198158D+02 -0.110043D+02  0.158194D+02 -0.139578D+02
      6   0.291263D+02 -0.396075D+00  0.162263D+02 -0.211168D+02  0.229274D+02
                66            67            68            69            70 
      1  -0.162462D+00 -0.542928D+01 -0.235149D+01  0.160084D+01  0.216929D+01
      2   0.286988D+01 -0.218886D+02  0.329472D+02 -0.474164D+01 -0.404969D+01
      3  -0.270742D+01  0.273179D+02 -0.305957D+02  0.314080D+01  0.188040D+01
      4  -0.106677D+02  0.464745D+02 -0.504299D+02  0.681683D+01 -0.435976D+00
      5   0.728012D+01 -0.995905D+01  0.102810D+02 -0.465701D+01  0.636200D+01
      6  -0.968352D+01  0.188390D+02 -0.238055D+02  0.735032D+01 -0.546796D+01
                71            72            73            74            75 
      1  -0.204293D+01 -0.125090D+00 -0.309575D+02  0.134756D+01 -0.300270D+02
      2   0.737381D+01  0.263784D+01 -0.217594D+02  0.660418D+01 -0.265917D+02
      3  -0.533088D+01 -0.251275D+01  0.527169D+02 -0.795175D+01  0.566186D+02
      4  -0.315559D+01 -0.592872D+01 -0.470570D+02  0.174102D+02 -0.351182D+02
      5  -0.489455D+01  0.220921D+01  0.211819D+02 -0.184324D+02  0.215548D+02
      6   0.354812D+01 -0.269937D+01 -0.390910D+02  0.750529D+01 -0.347041D+02
                76            77            78            79            80 
      1   0.454204D+02 -0.377328D+02  0.344956D+02  0.605138D+00 -0.539241D+01
      2   0.411322D+02  0.366900D+02  0.799021D+02  0.102188D+02  0.101704D+02
      3  -0.865526D+02  0.104274D+01 -0.114398D+03 -0.108239D+02 -0.477803D+01
      4   0.484141D+02 -0.332626D+02  0.453930D+02 -0.766480D+00 -0.740457D+01
      5  -0.468328D+02  0.515461D+01 -0.462903D+02 -0.699178D+01 -0.588845D+01
      6   0.586229D+02 -0.159318D+02  0.699032D+02  0.353824D+01  0.112230D+02
                81            82            83            84            85 
      1  -0.401942D+01 -0.691231D+02  0.112315D+03 -0.220485D+02 -0.192392D+02
      2   0.334238D+02  0.494590D+01 -0.922361D+02 -0.323285D+02 -0.103997D+02
      3  -0.294044D+02  0.641772D+02 -0.200793D+02  0.543770D+02  0.296389D+02
      4   0.908315D-01 -0.429828D+02  0.251333D+02 -0.249802D+02 -0.263757D+02
      5  -0.202258D+02  0.171869D+02 -0.309331D+01  0.284876D+02  0.134984D+02
      6   0.104013D+02 -0.257274D+02 -0.722809D+01 -0.467891D+02 -0.100378D+02
                86            87            88            89            90 
      1  -0.104919D+02 -0.139806D+01 -0.560575D+02  0.995492D+02 -0.414738D+02
      2   0.147654D+02 -0.445634D+02  0.539438D+01 -0.105430D+03 -0.190423D+02
      3  -0.427357D+01  0.459614D+02  0.506632D+02  0.588087D+01  0.605161D+02
      4   0.330820D+02 -0.674687D+01 -0.155415D+02  0.164662D+02 -0.307527D+02
      5  -0.704316D+00  0.206669D+02  0.323071D+02 -0.822313D+01  0.268324D+02
      6  -0.149452D+02 -0.122521D+02 -0.485907D+02  0.402966D+02 -0.574497D+02
                91            92            93            94            95 
      1   0.657787D+02 -0.283619D+02  0.444799D+02 -0.125219D+02  0.890999D+01
      2   0.273037D+02  0.180589D+02  0.545732D+02 -0.441722D+02 -0.120258D+02
      3  -0.930824D+02  0.103030D+02 -0.990531D+02  0.566941D+02  0.311582D+01
      4   0.641372D+02 -0.300733D+02  0.504204D+02 -0.321960D+02  0.653840D+01
      5  -0.377501D+02  0.589541D+01 -0.337194D+02  0.308013D+02 -0.103769D+02
      6   0.594538D+02 -0.135877D+02  0.669614D+02 -0.453653D+02  0.661261D+01
                96            97            98            99           100 
      1  -0.117098D+02  0.235026D+02 -0.882808D+01  0.196673D+02 -0.284898D+02
      2  -0.595336D+02 -0.978180D+01  0.503856D+01 -0.283638D+01 -0.217151D+02
      3   0.712434D+02 -0.137208D+02  0.378952D+01 -0.168309D+02  0.502049D+02
      4  -0.396130D+02  0.149367D+02 -0.248636D+02  0.106052D+02 -0.364420D+02
      5   0.381915D+02 -0.387409D+00 -0.515195D+01 -0.233035D+01  0.448080D+01
      6  -0.485776D+02  0.761276D+01 -0.277247D+01  0.742880D+01 -0.296871D+02
               101           102           103           104           105 
      1  -0.281020D+02 -0.213343D+02 -0.128037D+03  0.194459D+03 -0.839592D+02
      2   0.182387D+02 -0.277533D+02  0.528055D+02 -0.150710D+03  0.333576D+02
      3   0.986326D+01  0.490876D+02  0.752311D+02 -0.437496D+02  0.506016D+02
      4   0.356768D+02 -0.286812D+02 -0.554964D+02 -0.100938D+02 -0.445830D+02
      5   0.129388D+02  0.162606D+02  0.685866D+01 -0.452505D+02  0.200972D+01
      6   0.547346D+01 -0.300929D+02 -0.584021D+02  0.218512D+02 -0.346029D+02
               106           107           108           109           110 
      1  -0.855110D+02  0.767674D+02 -0.519104D+02 -0.158222D+02  0.579519D+02
      2   0.201356D+02 -0.503530D+02 -0.742148D+01  0.552016D+02 -0.653723D+02
      3   0.653753D+02 -0.264145D+02  0.593319D+02 -0.393795D+02  0.742032D+01
      4  -0.444319D+02  0.103493D+02 -0.342589D+02  0.530495D+02  0.262976D+02
      5   0.869656D+01 -0.176785D+02  0.179233D+01  0.671840D+01  0.121499D+02
      6  -0.433858D+02  0.122251D+02 -0.421483D+02  0.351910D+02 -0.114112D+02
               111           112           113           114           115 
      1   0.252120D+02  0.152506D+03 -0.225415D+03  0.975984D+02  0.592709D+02
      2   0.105563D+02 -0.616643D+02  0.173342D+03 -0.240457D+02 -0.360739D+01
      3  -0.357683D+02 -0.908418D+02  0.520732D+02 -0.735528D+02 -0.556635D+02
      4   0.415070D+02  0.607783D+02 -0.135924D+02  0.407465D+02  0.409798D+02
      5   0.371296D+01 -0.140456D+02  0.510970D+02 -0.797034D+01 -0.497284D+01
      6   0.251745D+02  0.605605D+02 -0.301595D+02  0.428559D+02  0.435672D+02
               116           117           118           119           120 
      1  -0.622434D+02  0.385545D+02  0.114935D+03 -0.184378D+03  0.639476D+02
      2   0.248576D+02  0.284468D+01 -0.508182D+02  0.175252D+03 -0.692383D+01
      3   0.373858D+02 -0.413991D+02 -0.641169D+02  0.912516D+01 -0.570237D+02
      4  -0.136715D+02  0.411761D+02  0.512711D+02 -0.536250D+02  0.203596D+02
      5   0.356003D+02 -0.598616D+01 -0.257384D+02  0.137240D+02 -0.230409D+02
      6  -0.307856D+01  0.403578D+02  0.319314D+02 -0.428228D+02  0.256721D+02
               121           122           123           124           125 
      1  -0.606475D+02  0.945059D+02 -0.239252D+02  0.585440D+02 -0.597441D+02
      2   0.487618D+02 -0.610389D+02  0.114316D+02 -0.399089D+02  0.452288D+02
      3   0.118857D+02 -0.334670D+02  0.124937D+02 -0.186351D+02  0.145154D+02
      4   0.860154D+01  0.249469D+02 -0.321274D+01  0.159123D+02 -0.461782D+02
      5   0.664192D+01 -0.214199D+02  0.623518D+01 -0.438529D+01  0.426703D+01
      6  -0.139257D+02 -0.754555D+01 -0.190195D+02  0.263667D+02 -0.104494D+02
               126           127           128           129           130 
      1   0.178678D+02 -0.129134D+03  0.159342D+03 -0.503262D+02 -0.861327D+01
      2   0.355753D+01  0.781296D+02 -0.626723D+02  0.340014D+02  0.501798D+01
      3  -0.214254D+02  0.510041D+02 -0.966693D+02  0.163248D+02  0.359529D+01
      4   0.116086D+02 -0.123006D+02 -0.140852D+03 -0.250837D+01 -0.317735D+01
      5  -0.211537D+02 -0.154988D+02 -0.117564D+03  0.126290D+01 -0.208905D+02
      6   0.525103D+02 -0.212461D+02  0.100508D+02 -0.914792D+01  0.162693D+02
               131           132           133           134           135 
      1  -0.778294D+02  0.155734D+02 -0.332022D+02  0.222865D+02 -0.126108D+02
      2   0.950949D+02 -0.255759D+02  0.274893D+02  0.108165D+02  0.449877D+01
      3  -0.172655D+02  0.100024D+02  0.571293D+01 -0.331031D+02  0.811199D+01
      4  -0.645643D+02  0.132924D+02  0.601554D+01 -0.578689D+02  0.321304D+01
      5  -0.502001D+02  0.704227D+01 -0.184637D+02 -0.486709D+02 -0.699626D+01
      6  -0.378844D+01 -0.349435D+01 -0.218086D+00  0.195714D+01  0.119691D+01
               136           137           138           139           140 
      1   0.151705D+03 -0.161177D+03  0.543298D+02 -0.309323D+02  0.708665D+02
      2  -0.815449D+02  0.575571D+02 -0.222912D+02  0.247996D+02 -0.104068D+03
      3  -0.701604D+02  0.103620D+03 -0.320386D+02  0.613274D+01  0.332019D+02
      4  -0.921712D+00  0.129557D+03 -0.911575D+01  0.519946D+02  0.769076D+02
      5   0.160137D+02  0.124179D+03 -0.953497D+01  0.224406D+02  0.586303D+02
      6   0.151063D+02 -0.866966D+01  0.111424D+02  0.179962D+02 -0.438865D+01
               141           142           143           144           145 
      1  -0.554546D+01  0.125918D+02 -0.317082D+02  0.231876D+02  0.315221D+02
      2   0.845734D+01 -0.100460D+02 -0.528461D+01 -0.247082D+02  0.112108D+02
      3  -0.291188D+01 -0.254581D+01  0.369928D+02  0.152058D+01 -0.427328D+02
      4   0.162294D+02  0.928562D+01  0.577906D+02  0.104172D+02  0.587158D+02
      5   0.464766D+01  0.355526D+02  0.598526D+02  0.102501D+02 -0.147208D+02
      6   0.660996D+01  0.177899D+02 -0.200210D+01  0.982012D+00  0.225909D+02
               146           147           148           149           150 
      1  -0.321297D+02  0.835311D+01 -0.145412D+02  0.224148D+02 -0.392864D+02
      2   0.118676D+02  0.351103D+01 -0.142343D+02  0.605625D+02  0.193122D+02
      3   0.202620D+02 -0.118641D+02  0.287755D+02 -0.829773D+02  0.199743D+02
      4   0.562182D+02  0.284408D+02 -0.633458D+02 -0.126435D+03 -0.385521D+02
      5   0.262295D+02  0.737411D+01 -0.412265D+02 -0.106584D+03 -0.196732D+02
      6   0.983185D+01  0.229345D+02 -0.511483D+02  0.137422D+01 -0.304765D+02
               151           152           153           154           155 
      1  -0.265173D+02 -0.195294D+02  0.594235D+01 -0.455938D+02  0.198739D+02
      2  -0.120966D+02  0.304007D+02 -0.227105D+02 -0.189237D+02  0.546856D+02
      3   0.386139D+02 -0.108712D+02  0.167681D+02  0.645174D+02 -0.745596D+02
      4  -0.408745D+02 -0.275311D+02  0.745761D+01 -0.756892D+02 -0.419925D+02
      5   0.234307D+02 -0.232520D+02  0.268193D+02 -0.158496D+02 -0.700500D+02
      6   0.880534D+01  0.450843D+01  0.930213D+01 -0.570070D+02  0.333650D+01
               156           157           158           159           160 
      1  -0.462635D+02  0.619249D+02 -0.109872D+02  0.452286D+02  0.751809D+00
      2   0.769073D+01 -0.207495D+02 -0.105598D+02 -0.284914D+02 -0.284801D+02
      3   0.385727D+02 -0.411754D+02  0.215470D+02 -0.167372D+02  0.277283D+02
      4  -0.611887D+02  0.727162D+02  0.802109D+02  0.144857D+02 -0.277082D+02
      5  -0.176450D+02  0.231999D+02  0.417817D+02  0.106950D+02  0.114625D+02
      6  -0.446249D+02  0.212050D+02 -0.177938D+02  0.104900D+02 -0.135426D+02
               161           162           163           164           165 
      1  -0.105321D+02 -0.280761D+02 -0.965842D+02 -0.744884D+02  0.114193D+01
      2  -0.178491D+02 -0.106628D+02  0.640865D+02  0.959880D+02 -0.225675D+00
      3   0.283812D+02  0.387389D+02  0.324977D+02 -0.214996D+02 -0.916251D+00
      4  -0.251699D+02 -0.605982D+00  0.715469D+02 -0.467206D+01 -0.145347D+02
      5   0.160551D+02  0.183131D+02 -0.560438D+02 -0.728194D+02  0.128630D+01
      6   0.265075D+02  0.355360D+01 -0.752215D+01  0.319261D+02  0.152920D+01
               166           167           168           169           170 
      1   0.725644D+02  0.580063D+02 -0.907144D+00  0.260941D+02  0.109308D+02
      2  -0.498485D+02 -0.120958D+03  0.946551D+01 -0.192438D+02 -0.261465D+02
      3  -0.227159D+02  0.629518D+02 -0.855837D+01 -0.685024D+01  0.152157D+02
      4  -0.151387D+02  0.105872D+03 -0.110730D+02 -0.388122D-02  0.333749D+02
      5   0.484471D+02  0.102469D+03 -0.870460D+01  0.645464D+01  0.354792D+02
      6  -0.135821D+02 -0.179239D+02 -0.354224D+00  0.783137D+00 -0.566320D+01
               171           172           173           174           175 
      1  -0.667608D+01  0.116889D+03  0.227786D+02 -0.930944D+01 -0.572193D+02
      2  -0.161236D+01 -0.690354D+02 -0.432371D+02  0.133269D+02  0.444259D+02
      3   0.828844D+01 -0.478533D+02  0.204586D+02 -0.401748D+01  0.127934D+02
      4   0.411198D+00 -0.889521D+02 -0.104727D+02 -0.189595D+01  0.747154D+01
      5   0.218989D+01  0.520138D+02  0.640995D+02 -0.102164D+02 -0.684287D+02
      6  -0.253475D+01 -0.127284D+02 -0.152911D+02 -0.231911D+01  0.194974D+01
               176           177           178           179           180 
      1  -0.881614D+02 -0.300287D+01 -0.209153D+01 -0.182008D+02 -0.104856D+01
      2   0.168694D+03  0.326764D+01  0.108110D+02  0.406964D+02 -0.770735D+00
      3  -0.805331D+02 -0.264766D+00 -0.871943D+01 -0.224956D+02  0.181929D+01
      4  -0.112208D+03 -0.186088D+01 -0.553494D+01 -0.235410D+02 -0.167338D+02
      5  -0.140149D+03  0.641688D+01  0.373313D+00 -0.484319D+02 -0.869116D+01
      6   0.485874D+02  0.433021D-01 -0.134100D+02  0.272155D+02 -0.485499D+00
               181           182           183           184           185 
      1  -0.621547D+02  0.105693D+02  0.560949D+01 -0.156094D+03  0.548045D+02
      2   0.282588D+02 -0.128305D+02 -0.769996D+01  0.105218D+03 -0.344026D+02
      3   0.338959D+02  0.226118D+01  0.209047D+01  0.508757D+02 -0.204019D+02
      4   0.622475D+02  0.257804D+02  0.923879D+01  0.523324D+02 -0.237825D+02
      5  -0.308732D+02 -0.185623D+02  0.137504D+02 -0.414424D+02 -0.348318D+02
      6   0.140599D+02 -0.991469D+00 -0.244039D+01  0.217594D+02 -0.516656D+01
               186           187           188           189           190 
      1  -0.232856D+02 -0.783322D+02  0.364288D+02  0.171283D+02 -0.413260D+00
      2   0.996843D+01  0.532217D+02 -0.323264D+02 -0.137296D+02 -0.326070D+01
      3   0.133171D+02  0.251105D+02 -0.410244D+01 -0.339867D+01  0.367396D+01
      4   0.303253D+02  0.176450D+02  0.159788D+02 -0.199484D+02 -0.123413D+02
      5  -0.582715D+01  0.323013D+02 -0.589562D+02 -0.116883D+02 -0.133743D+02
      6   0.901555D+01 -0.836503D+01  0.203221D+02 -0.307760D+01 -0.625781D+00
               191           192           193           194           195 
      1   0.509143D+02 -0.281328D+02  0.174538D+03 -0.133184D+03  0.101725D+02
      2  -0.457979D+02  0.160714D+02 -0.101316D+03  0.899450D+02  0.429801D+01
      3  -0.511645D+01  0.120613D+02 -0.732218D+02  0.432392D+02 -0.144705D+02
      4   0.202799D+02  0.410469D+01 -0.829540D+02  0.506003D+02 -0.246511D+02
      5  -0.161553D+01  0.971329D+01 -0.123838D+02  0.602554D+02 -0.815855D+01
      6  -0.181706D+01  0.140774D+01 -0.981453D+01 -0.442117D-01  0.414343D+00
               196           197           198           199           200 
      1   0.110675D+02 -0.413221D+02  0.263775D+02  0.522667D+02  0.431768D+02
      2  -0.131166D+02  0.253044D+02 -0.254796D+02 -0.500016D+02 -0.434875D+02
      3   0.204908D+01  0.160177D+02 -0.897900D+00 -0.226514D+01  0.310712D+00
      4  -0.506738D+02  0.735063D+01 -0.107854D+02 -0.400336D+02 -0.279283D+02
      5   0.529331D+02  0.280726D+02  0.213682D+02  0.192900D+02  0.327490D+02
      6  -0.152145D+02 -0.710447D+00 -0.114965D+02  0.488733D+01 -0.196937D+02
               201           202           203           204           205 
      1  -0.796777D+01 -0.921280D+01  0.278529D+02  0.116195D+02 -0.187643D+01
      2   0.169072D+01  0.285406D+02 -0.413700D+02 -0.210718D+02  0.142271D+02
      3   0.627705D+01 -0.193278D+02  0.135171D+02  0.945238D+01 -0.123506D+02
      4   0.119068D+02 -0.132918D+03 -0.359807D+02  0.316915D+02 -0.522984D+02
      5   0.503399D+01  0.602757D+02  0.165134D+02 -0.137349D+02  0.285143D+02
      6  -0.491689D+01  0.240718D+02 -0.780677D+01 -0.706911D+01  0.117833D+02
               206           207           208           209           210 
      1   0.377229D+01  0.639962D+01  0.413691D+01  0.115413D+03  0.179035D+02
      2  -0.879048D+01 -0.133583D+02 -0.761003D+01 -0.162276D+03 -0.131719D+02
      3   0.501819D+01  0.695871D+01  0.347312D+01  0.468632D+02 -0.473162D+01
      4  -0.852868D+01  0.109437D+02 -0.504035D+02  0.389977D+02  0.217552D+02
      5   0.100397D+02 -0.319734D+01  0.670177D+02  0.814763D+02  0.160194D+01
      6  -0.301034D+01 -0.636835D+01  0.533182D+01 -0.461232D+02 -0.203747D+02
               211           212           213           214           215 
      1   0.202968D+02  0.658518D+02  0.244375D+01 -0.434654D+01  0.209928D+02
      2  -0.305416D+02 -0.122430D+03 -0.373471D+01  0.187113D+02 -0.446931D+02
      3   0.102447D+02  0.565779D+02  0.129096D+01 -0.143648D+02  0.237003D+02
      4   0.178613D+01  0.651068D+02  0.201190D+02 -0.377666D+01  0.287321D+02
      5   0.377768D+02  0.105362D+03 -0.172705D+01  0.394207D+02  0.164985D+02
      6   0.148195D+02 -0.487917D+02 -0.245751D+01 -0.389904D+02  0.583356D+01
               216           217           218           219           220 
      1  -0.543515D+01  0.224594D+02 -0.788704D+02 -0.154589D+02 -0.250168D+02
      2   0.609672D+00 -0.336349D+02  0.123010D+03  0.177124D+02  0.240234D+02
      3   0.482548D+01  0.111755D+02 -0.441395D+02 -0.225356D+01  0.993455D+00
      4  -0.278600D+02  0.116398D+03 -0.476206D+02 -0.436303D+02 -0.838013D+01
      5  -0.111525D+02 -0.816383D+02 -0.875237D+02  0.523780D+01  0.164459D+02
      6   0.109793D+02 -0.218843D+02  0.388664D+02  0.191568D+02  0.667532D+00
               221           222           223           224           225 
      1  -0.222634D+02  0.185617D+02 -0.138145D+02  0.522239D+01 -0.243106D+02
      2   0.391200D+02 -0.264985D+02  0.631900D+01 -0.336880D+02  0.151434D+02
      3  -0.168566D+02  0.793684D+01  0.749546D+01  0.284656D+02  0.916715D+01
      4  -0.416291D+02  0.490000D+01 -0.877091D+01 -0.484990D+01  0.903278D+00
      5  -0.132829D+02 -0.616458D+01  0.587511D+01 -0.194100D+02 -0.130843D+02
      6  -0.185798D+02 -0.247994D+00  0.187796D+02  0.510192D+02  0.169350D+02
               226           227           228           229           230 
      1  -0.699274D+02  0.529319D+00  0.133896D+02  0.169866D+02 -0.406469D+02
      2   0.637816D+02  0.199165D+01 -0.146851D+02 -0.358733D+02  0.628766D+02
      3   0.614580D+01 -0.252097D+01  0.129542D+01  0.188867D+02 -0.222297D+02
      4  -0.234362D+02  0.293615D+02  0.230002D+02  0.135406D+03  0.416222D+02
      5   0.250584D+02  0.791261D+01 -0.920227D+01 -0.761833D+02 -0.299542D+02
      6   0.127773D+02  0.626851D+00 -0.436972D+01 -0.262565D+02  0.120640D+02
               231           232           233           234           235 
      1  -0.910561D+01  0.137333D+02 -0.273526D+01 -0.204290D+02  0.557643D+02
      2   0.272463D+02 -0.185167D+02  0.707406D+01  0.186513D+02 -0.474906D+02
      3  -0.181407D+02  0.478344D+01 -0.433880D+01  0.177772D+01 -0.827372D+01
      4  -0.339598D+02  0.459840D+02  0.125390D+02 -0.131041D+02 -0.321559D+02
      5   0.173231D+02 -0.303393D+02 -0.762212D+01  0.107272D+02 -0.568519D+01
      6   0.984794D+01 -0.112975D+02  0.166551D+02  0.817400D+01 -0.129574D+01
               236           237           238           239           240 
      1   0.490002D+01 -0.153744D+02 -0.599086D+01  0.694599D+01  0.167776D+02
      2  -0.241962D+02  0.826113D+01  0.103165D+02 -0.819612D-01 -0.225064D+02
      3   0.192961D+02  0.711325D+01 -0.432560D+01 -0.686403D+01  0.572880D+01
      4  -0.641983D+02 -0.117685D+02  0.337022D+02  0.184985D+02 -0.112392D+02
      5  -0.253380D+01 -0.111329D+01  0.244055D+01 -0.118742D+02 -0.156028D+01
      6   0.555886D+01  0.134395D+01 -0.827544D+01 -0.249527D+02  0.212509D+01
               241           242           243           244           245 
      1  -0.111831D+02  0.202551D+02 -0.867855D+01 -0.811974D+01 -0.303082D+02
      2   0.818342D+01 -0.254164D+02  0.767953D+01 -0.272245D+01  0.441256D+02
      3   0.299968D+01  0.516130D+01  0.999013D+00  0.108422D+02 -0.138174D+02
      4   0.280920D+02  0.132964D+02  0.138592D+02  0.350761D+02  0.444782D+02
      5   0.885417D+01  0.908748D+01  0.882196D+01 -0.223155D+02  0.149716D+01
      6   0.936948D+01  0.228284D+02  0.109279D+02 -0.873220D+00  0.482483D+01
               246           247           248           249           250 
      1  -0.789179D+01  0.559392D+02 -0.167309D+02 -0.248572D+02  0.414471D+02
      2   0.128660D+02 -0.610624D+02 -0.642920D-01  0.208014D+02 -0.399447D+02
      3  -0.497424D+01  0.512328D+01  0.167952D+02  0.405586D+01 -0.150234D+01
      4   0.321175D+01 -0.127238D+02 -0.423800D+02 -0.256703D+02 -0.178551D+02
      5   0.213613D+02 -0.492043D+02 -0.101843D+02  0.109014D+02  0.156399D+02
      6   0.104980D+02 -0.249170D+02 -0.574654D+01  0.751638D+01  0.175904D+02
               251           252           253           254           255 
      1   0.581363D+01 -0.734806D+01  0.217217D+02  0.228548D+02 -0.904966D+01
      2  -0.175616D+02  0.345518D+01 -0.278699D+02  0.502880D+01  0.920230D+01
      3   0.117480D+02  0.389288D+01  0.614820D+01 -0.278836D+02 -0.152647D+00
      4  -0.421012D+02  0.139412D+02  0.790977D+02  0.192612D+02 -0.133435D+02
      5   0.980386D+01 -0.631701D+01 -0.331755D+02 -0.719567D+01  0.177189D+01
      6   0.175380D+02 -0.917128D+01 -0.628767D+01  0.822682D+01  0.532604D+01
               256           257           258           259           260 
      1  -0.292870D+02  0.836384D+01  0.111656D+02 -0.765150D+01 -0.648267D+01
      2   0.382604D+02  0.412174D+01 -0.165831D+01  0.167836D+02  0.760430D+01
      3  -0.897348D+01 -0.124856D+02 -0.950729D+01 -0.913207D+01 -0.112163D+01
      4  -0.115411D+02  0.413028D+02  0.163298D+02 -0.242180D+02  0.105349D+02
      5   0.116856D+02  0.877330D+01  0.106994D+02  0.197205D+02  0.963345D+01
      6   0.143884D+02 -0.112427D+01 -0.336220D+01  0.197642D+02  0.263614D+01
               261           262           263           264           265 
      1   0.768443D+01 -0.503596D+02 -0.129016D+02  0.173587D+02 -0.134626D+02
      2  -0.953886D+01  0.595736D+02 -0.793049D+01 -0.273517D+02  0.946822D+01
      3   0.185443D+01 -0.921397D+01  0.208321D+02  0.999300D+01  0.399434D+01
      4   0.151117D+02 -0.746268D+02 -0.216848D+02  0.939024D+01  0.102538D+02
      5  -0.546356D+01  0.545053D+02 -0.964455D+01 -0.204467D+02  0.161231D+02
      6  -0.118918D+02  0.772858D+01  0.208855D+01 -0.386319D+01 -0.310404D+01
               266           267           268           269           270 
      1   0.795083D+01  0.787808D+01  0.109890D+01  0.109162D+02 -0.125689D+02
      2  -0.148196D+02 -0.795000D+01 -0.276861D+01 -0.367529D+01 -0.930978D+01
      3   0.686879D+01  0.719254D-01  0.166971D+01 -0.724090D+01  0.218786D+02
      4  -0.138020D+02  0.105634D+00  0.136463D+02  0.737817D+01 -0.955479D+01
      5   0.204092D+01 -0.110539D+02  0.127054D+01 -0.101978D+02  0.134994D+01
      6  -0.709717D+01  0.101530D+01 -0.298469D+01  0.257196D+01 -0.954001D+01
               271           272           273           274           275 
      1  -0.998791D+01  0.224347D+02 -0.150193D+01  0.166179D+02 -0.393176D+02
      2   0.313194D+02 -0.531405D+02 -0.364912D+00 -0.381125D+02  0.832540D+02
      3  -0.213315D+02  0.307058D+02  0.186684D+01  0.214946D+02 -0.439364D+02
      4  -0.330801D+02  0.454683D+02  0.191894D+01  0.311957D+02 -0.510579D+02
      5  -0.266112D+01  0.393393D+01  0.310268D+01  0.544379D+01 -0.797641D+01
      6  -0.323075D+01  0.574604D+01 -0.664772D+01 -0.361425D+01  0.278151D+01
               276           277           278           279           280 
      1  -0.423620D+01  0.180049D+01 -0.874922D+01 -0.270175D+01 -0.259341D+01
      2   0.629149D+01 -0.617509D+01  0.147376D+02  0.299294D+01  0.599118D+01
      3  -0.205529D+01  0.437460D+01 -0.598840D+01 -0.291192D+00 -0.339777D+01
      4  -0.516955D+01 -0.367195D+01 -0.309017D+00 -0.676803D+01  0.750182D+01
      5  -0.239330D+01  0.312163D+01 -0.439983D+01 -0.154497D+00  0.121496D+01
      6   0.500805D+01 -0.545876D+01  0.793965D+01  0.134253D+01  0.836680D+01
               281           282           283           284           285 
      1  -0.873045D+01 -0.369031D+01 -0.724708D+01 -0.622432D+02 -0.304132D+02
      2   0.119953D+02  0.525288D+01  0.100830D+02  0.977304D+02  0.406789D+02
      3  -0.326490D+01 -0.156258D+01 -0.283596D+01 -0.354871D+02 -0.102656D+02
      4   0.148839D+02  0.991421D+01  0.731212D+01  0.262752D+02  0.100156D+02
      5   0.444386D+01  0.275800D+01  0.176548D+01 -0.108382D+01  0.582286D-01
      6   0.931117D+01  0.999828D+01  0.516474D+01  0.509699D+02  0.323805D+02
               286           287           288           289           290 
      1  -0.520240D+01 -0.330124D+02 -0.218475D+02  0.107827D+03  0.285124D+02
      2   0.113883D+02  0.460088D+02  0.268368D+02 -0.672036D+02 -0.156833D+02
      3  -0.618594D+01 -0.129964D+02 -0.498936D+01 -0.406231D+02 -0.128290D+02
      4   0.998204D+01  0.190305D+02  0.122448D+02  0.661217D+02  0.250348D+02
      5   0.168687D+01  0.206424D+01  0.328865D+01  0.585302D+02  0.148167D+02
      6   0.484432D+01  0.366404D+02  0.234344D+02  0.174822D+02  0.702970D+01
               291           292           293           294           295 
      1   0.391352D+02  0.683805D+01  0.153184D+02  0.444166D+01  0.380268D+02
      2  -0.289126D+02 -0.165497D+01 -0.550578D+01 -0.285775D+01 -0.230341D+02
      3  -0.102226D+02 -0.518308D+01 -0.981257D+01 -0.158392D+01 -0.149927D+02
      4   0.256058D+02  0.253069D+02  0.135092D+02  0.120644D+02  0.281399D+02
      5   0.330542D+02  0.122489D+02  0.592909D+01  0.814910D+01  0.257309D+02
      6   0.101383D+02  0.971030D+01  0.471150D+01  0.653376D+01  0.843308D+01
               296           297           298           299           300 
      1   0.753044D+01  0.169331D+02  0.648181D+00  0.562483D+01 -0.545355D+00
      2  -0.472444D+01 -0.124455D+02  0.495955D+01  0.158104D+01  0.128901D+01
      3  -0.280599D+01 -0.448760D+01 -0.560773D+01 -0.720586D+01 -0.743655D+00
      4   0.101647D+02  0.129567D+02  0.210698D+02  0.265351D+02  0.154724D+02
      5   0.105485D+02  0.163485D+02  0.994587D+01  0.133103D+02  0.107291D+02
      6   0.510025D+01  0.546769D+01  0.111745D+02  0.138335D+02  0.885688D+01
               301           302           303           304           305 
      1  -0.743963D+01 -0.351858D+02 -0.169341D+02 -0.641932D+01 -0.919593D+01
      2   0.197778D+02  0.553124D+02  0.214172D+02  0.859427D+01  0.214778D+02
      3  -0.123382D+02 -0.201266D+02 -0.448304D+01 -0.217496D+01 -0.122819D+02
      4   0.357065D+02  0.707415D+02  0.344337D+02  0.226315D+02  0.408870D+02
      5   0.126751D+02  0.272497D+02  0.173224D+02  0.123356D+02  0.147608D+02
      6   0.211470D+02  0.525517D+02  0.314126D+02  0.144738D+02  0.280027D+02
               306           307           308           309           310 
      1  -0.945789D+01  0.802187D+02 -0.451793D+02 -0.349322D+01 -0.438759D+02
      2   0.944463D+01 -0.301425D+02  0.144775D+02  0.208013D+01  0.717602D+01
      3   0.132581D-01 -0.500762D+02  0.307018D+02  0.141309D+01  0.366999D+02
      4   0.214320D+02 -0.783851D+02  0.524653D+02  0.143224D+01  0.684814D+02
      5   0.135919D+02 -0.106847D+02  0.220875D+01  0.818338D+01  0.102826D+02
      6   0.217840D+02 -0.123718D+01  0.182238D+01 -0.365862D+01 -0.150887D+01
               311           312           313           314           315 
      1   0.319582D+02  0.423600D+01 -0.517216D+01  0.249074D+01  0.211929D+01
      2   0.528747D+00 -0.199735D+01  0.619171D+00  0.122293D+01 -0.628857D+00
      3  -0.324870D+02 -0.223865D+01  0.455299D+01 -0.371368D+01 -0.149043D+01
      4  -0.614539D+02 -0.503407D+01  0.112146D+02 -0.117813D+02 -0.391739D+01
      5  -0.126316D+02 -0.708801D+01  0.697551D+01  0.869594D-01 -0.125722D+01
      6   0.252393D+01  0.431026D+01 -0.279823D+01  0.121453D+01  0.195100D+01
               316           317           318           319           320 
      1   0.168201D+03  0.834708D+01  0.319201D+02  0.202349D+02  0.106669D+02
      2  -0.103737D+03 -0.519650D+01 -0.223593D+02 -0.138500D+02 -0.695669D+01
      3  -0.644637D+02 -0.315058D+01 -0.956078D+01 -0.638492D+01 -0.371022D+01
      4   0.657469D+00  0.673374D+01 -0.129829D+01  0.195796D+02  0.502113D+01
      5   0.440308D+02  0.129344D+01  0.200113D+02  0.106582D+02  0.861620D+01
      6  -0.665756D+01  0.891673D+00 -0.231890D+01  0.205440D+01 -0.662618D+00
               321           322           323           324           325 
      1   0.692672D+01  0.446695D+02  0.419146D+01  0.129062D+02  0.172981D+02
      2  -0.554370D+01 -0.302360D+02 -0.136914D+01 -0.951765D+01  0.139608D+02
      3  -0.138302D+01 -0.144335D+02 -0.282232D+01 -0.338854D+01 -0.312589D+02
      4   0.408342D+01  0.325749D+01  0.168770D+01  0.497975D+00 -0.701624D+02
      5   0.455503D+01  0.167744D+02 -0.392856D+01  0.799166D+01 -0.157746D+02
      6   0.121821D+01 -0.112217D+01  0.217480D+01  0.501861D+00  0.116426D+02
               326           327           328           329           330 
      1  -0.631330D+01 -0.300097D+01  0.450711D+01 -0.914472D+01 -0.236359D+01
      2  -0.231580D+02 -0.282149D+01 -0.288600D+02  0.429341D+02  0.814850D+01
      3   0.294713D+02  0.582245D+01  0.243529D+02 -0.337893D+02 -0.578492D+01
      4   0.641848D+02  0.167033D+02  0.533199D+02 -0.693598D+02 -0.173334D+02
      5   0.158679D+02  0.987897D+01  0.149869D+02 -0.138208D+02 -0.841447D+01
      6  -0.129588D+02 -0.849831D+01 -0.153647D+02  0.169480D+02  0.111259D+02
               331           332           333           334           335 
      1   0.321851D+00 -0.623641D+00  0.978755D-01 -0.749157D+01 -0.165542D+02
      2  -0.942691D+01  0.602901D+01  0.336074D+01  0.112540D+02  0.222887D+02
      3   0.910506D+01 -0.540537D+01 -0.345862D+01 -0.376242D+01 -0.573446D+01
      4   0.164697D+02 -0.169359D+02 -0.743128D+01  0.392940D+01  0.170090D+02
      5   0.537358D+01 -0.741882D+01 -0.463737D+01 -0.145538D+01  0.253712D+01
      6  -0.323318D+01  0.961481D+01  0.420708D+01  0.442048D+01  0.706886D+01
               336           337           338           339           340 
      1  -0.412210D+01 -0.280512D+01 -0.895937D+02 -0.244617D+02 -0.219584D+00
      2   0.488901D+01  0.275552D+01  0.133923D+03  0.317303D+02  0.221911D+01
      3  -0.766906D+00  0.496003D-01 -0.443296D+02 -0.726867D+01 -0.199952D+01
      4   0.340332D+01  0.613621D+01 -0.140999D+02 -0.394719D+01 -0.180435D+00
      5   0.248819D+01  0.106474D+01 -0.666564D+01 -0.340463D+01  0.361270D+01
      6   0.341377D+01  0.230102D+01  0.505271D+02  0.223321D+02 -0.286052D+01
               341           342           343           344           345 
      1  -0.302283D+02 -0.104252D+02 -0.333709D+01 -0.647727D+01 -0.135236D+01
      2   0.441730D+02  0.129105D+02  0.122840D+02  0.188552D+02  0.379148D+01
      3  -0.139447D+02 -0.248525D+01 -0.894695D+01 -0.123779D+02 -0.243912D+01
      4  -0.797561D+01 -0.133058D+01  0.151852D+02  0.269788D+02  0.626896D+01
      5  -0.908188D+00 -0.473310D+00  0.190898D+01  0.533184D+01  0.400851D+01
      6   0.184273D+02  0.111185D+02  0.474679D+01  0.441415D+01  0.287158D+01
               346           347           348           349           350 
      1  -0.158863D+02 -0.599159D+02 -0.154510D+02 -0.384547D+01 -0.211328D+02
      2   0.301045D+02  0.102769D+03  0.230872D+02  0.615705D+01  0.317277D+02
      3  -0.142181D+02 -0.428529D+02 -0.763629D+01 -0.231159D+01 -0.105949D+02
      4   0.230042D+02  0.549450D+02  0.146429D+02  0.717848D+01  0.162212D+02
      5   0.658731D+01  0.139337D+02  0.592707D+01  0.177580D+01  0.547544D+01
      6   0.100849D+02  0.297518D+02  0.162259D+02  0.483733D+01  0.158841D+02
               351           352           353           354           355 
      1  -0.909475D+01  0.522632D+02  0.214057D+02 -0.140338D+01  0.107443D+02
      2   0.120206D+02 -0.138655D+02 -0.136217D+00  0.794104D+00  0.526664D+01
      3  -0.292582D+01 -0.383977D+02 -0.212695D+02  0.609274D+00 -0.160109D+02
      4   0.601666D+01  0.748525D+02  0.441188D+02 -0.221036D+01  0.334171D+02
      5   0.328120D+01 -0.362817D+01 -0.132855D+01  0.720936D+01  0.203578D+01
      6   0.888214D+01 -0.590494D+01 -0.377291D+01  0.496259D+01  0.937886D+00
               356           357           358           359           360 
      1   0.636198D+01  0.550372D+00 -0.287616D+01 -0.107299D+01  0.223740D+01
      2   0.737124D+01  0.123802D+00  0.419759D+01  0.270639D+01 -0.803758D+00
      3  -0.137332D+02 -0.674173D+00 -0.132144D+01 -0.163340D+01 -0.143364D+01
      4   0.279901D+02  0.198037D+01  0.150318D+01  0.436809D+01  0.346784D+01
      5   0.167014D+01  0.262998D+01  0.278903D+01  0.221263D+01  0.141919D+01
      6  -0.133046D+01  0.187469D+01  0.112678D+01  0.175430D+01  0.920099D+00
               361           362           363           364           365 
      1   0.127025D+03 -0.149038D+02 -0.233322D+02 -0.834445D+01  0.186971D+02
      2  -0.738756D+02  0.786793D+01  0.175123D+02  0.224299D+01 -0.133578D+02
      3  -0.531498D+02  0.703586D+01  0.581990D+01  0.610147D+01 -0.533923D+01
      4  -0.156181D+02  0.309706D+02  0.768201D+01  0.698926D+02 -0.196701D+02
      5  -0.452246D+02  0.992613D+01  0.400043D+02  0.114123D+01 -0.267445D+02
      6   0.237572D+01 -0.965397D+01 -0.136856D+01 -0.257318D+02  0.533333D+01
               366           367           368           369           370 
      1  -0.184621D+00  0.681408D+01  0.262519D+01  0.127943D+01 -0.452219D+01
      2  -0.411781D+01  0.188566D+02 -0.407363D+01 -0.459402D+02  0.296655D+01
      3   0.430243D+01 -0.256706D+02  0.144844D+01  0.446608D+02  0.155564D+01
      4  -0.277170D+02  0.115869D+02 -0.124621D+02 -0.304866D+01 -0.148963D+01
      5  -0.106392D+02  0.624223D+02 -0.112515D+02 -0.545691D+02  0.498542D+01
      6   0.253784D+02 -0.124623D+01  0.171005D+02 -0.479644D+01  0.561533D+00
               371           372           373           374           375 
      1  -0.128947D+01  0.130831D+01 -0.408109D+01 -0.538360D+01 -0.139762D+01
      2  -0.102893D+01 -0.195470D+01  0.302581D+01 -0.169350D+01 -0.393686D+01
      3   0.231840D+01  0.646387D+00  0.105528D+01  0.707710D+01  0.533448D+01
      4  -0.594279D+00  0.702728D+00 -0.235096D+00 -0.247835D+01 -0.120802D+01
      5   0.397622D+01 -0.152242D+01  0.362699D+01  0.375182D+01 -0.272288D+01
      6  -0.888105D+00 -0.259889D+00 -0.668825D-01  0.109421D+01  0.101988D+01
               376           377           378 
      1  -0.777786D+00 -0.375699D+00 -0.336334D+01
      2   0.111564D+01 -0.302961D+01 -0.176147D+01
      3  -0.337859D+00  0.340531D+01  0.512481D+01
      4   0.643420D+00 -0.132526D+01 -0.738895D+00
      5   0.157037D+01 -0.320393D-01 -0.795943D+00
      6  -0.969856D+00  0.895475D+00  0.203339D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 23:53:47 2021, MaxMem=  5637144576 cpu:          285432.9 elap:           35856.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -482.79821 -62.47703 -56.30975 -56.30618 -56.30609
 Alpha  occ. eigenvalues --  -10.24445 -10.21231 -10.21198 -10.21116 -10.20917
 Alpha  occ. eigenvalues --  -10.20751 -10.20678 -10.20635 -10.20479 -10.20309
 Alpha  occ. eigenvalues --  -10.20283 -10.20180 -10.20043 -10.19878 -10.19863
 Alpha  occ. eigenvalues --  -10.19829 -10.19805 -10.19728 -10.19688 -10.19610
 Alpha  occ. eigenvalues --  -10.19470 -10.19395 -10.19144 -10.19078 -10.19006
 Alpha  occ. eigenvalues --  -10.18864  -8.69353  -6.52669  -6.51431  -6.51397
 Alpha  occ. eigenvalues --   -2.64103  -2.63752  -2.63726  -2.62747  -2.62747
 Alpha  occ. eigenvalues --   -0.90113  -0.88306  -0.86745  -0.84686  -0.82589
 Alpha  occ. eigenvalues --   -0.80485  -0.79627  -0.78488  -0.76600  -0.75368
 Alpha  occ. eigenvalues --   -0.73998  -0.73021  -0.71503  -0.70972  -0.64999
 Alpha  occ. eigenvalues --   -0.64493  -0.62521  -0.62023  -0.61604  -0.60636
 Alpha  occ. eigenvalues --   -0.58154  -0.56359  -0.54282  -0.53607  -0.52179
 Alpha  occ. eigenvalues --   -0.51418  -0.50530  -0.49463  -0.47991  -0.47107
 Alpha  occ. eigenvalues --   -0.46079  -0.45701  -0.44977  -0.44439  -0.43818
 Alpha  occ. eigenvalues --   -0.43638  -0.43157  -0.42992  -0.41700  -0.41471
 Alpha  occ. eigenvalues --   -0.41325  -0.40193  -0.39246  -0.38594  -0.38284
 Alpha  occ. eigenvalues --   -0.37606  -0.37031  -0.36768  -0.35706  -0.35161
 Alpha  occ. eigenvalues --   -0.34126  -0.33555  -0.33146  -0.31650  -0.30232
 Alpha  occ. eigenvalues --   -0.29958  -0.28975  -0.28911  -0.26516  -0.24095
 Alpha  occ. eigenvalues --   -0.23847  -0.21804  -0.21707
 Alpha virt. eigenvalues --   -0.07358  -0.06609  -0.04370  -0.03978  -0.00964
 Alpha virt. eigenvalues --   -0.00445   0.00229   0.01524   0.02022   0.02331
 Alpha virt. eigenvalues --    0.02347   0.02711   0.03782   0.03985   0.04258
 Alpha virt. eigenvalues --    0.04642   0.05760   0.05927   0.06242   0.06927
 Alpha virt. eigenvalues --    0.07065   0.07300   0.07954   0.08280   0.08515
 Alpha virt. eigenvalues --    0.08675   0.09101   0.10185   0.10367   0.10848
 Alpha virt. eigenvalues --    0.11473   0.11773   0.11884   0.12310   0.13412
 Alpha virt. eigenvalues --    0.13749   0.14086   0.14296   0.14849   0.15138
 Alpha virt. eigenvalues --    0.15592   0.15696   0.15823   0.16031   0.16764
 Alpha virt. eigenvalues --    0.17134   0.17497   0.17597   0.17970   0.18158
 Alpha virt. eigenvalues --    0.18556   0.18989   0.19467   0.19752   0.19911
 Alpha virt. eigenvalues --    0.20551   0.20762   0.21327   0.21642   0.22019
 Alpha virt. eigenvalues --    0.22405   0.22911   0.23174   0.23281   0.23408
 Alpha virt. eigenvalues --    0.23853   0.24461   0.24606   0.24904   0.25171
 Alpha virt. eigenvalues --    0.25595   0.25708   0.26061   0.26346   0.26739
 Alpha virt. eigenvalues --    0.26812   0.27125   0.27326   0.27443   0.27709
 Alpha virt. eigenvalues --    0.27944   0.28164   0.28578   0.28754   0.28838
 Alpha virt. eigenvalues --    0.29153   0.29530   0.29936   0.30167   0.30269
 Alpha virt. eigenvalues --    0.30760   0.31010   0.31377   0.31576   0.32030
 Alpha virt. eigenvalues --    0.32188   0.32741   0.32923   0.33206   0.33763
 Alpha virt. eigenvalues --    0.33851   0.33974   0.34518   0.34781   0.35237
 Alpha virt. eigenvalues --    0.35716   0.35877   0.35948   0.36093   0.36383
 Alpha virt. eigenvalues --    0.36627   0.36676   0.36925   0.37155   0.37357
 Alpha virt. eigenvalues --    0.37808   0.37950   0.38422   0.38519   0.38601
 Alpha virt. eigenvalues --    0.39115   0.39388   0.39754   0.39907   0.40132
 Alpha virt. eigenvalues --    0.40384   0.40482   0.40667   0.40788   0.40932
 Alpha virt. eigenvalues --    0.41321   0.41714   0.41807   0.41929   0.42451
 Alpha virt. eigenvalues --    0.42739   0.42895   0.43233   0.43331   0.43425
 Alpha virt. eigenvalues --    0.43558   0.43676   0.44261   0.44404   0.44495
 Alpha virt. eigenvalues --    0.44946   0.44999   0.45271   0.45493   0.45989
 Alpha virt. eigenvalues --    0.46183   0.46703   0.46990   0.47330   0.47608
 Alpha virt. eigenvalues --    0.47817   0.47906   0.48204   0.48385   0.48642
 Alpha virt. eigenvalues --    0.48898   0.49198   0.49348   0.49609   0.50009
 Alpha virt. eigenvalues --    0.51012   0.51156   0.51336   0.51683   0.52028
 Alpha virt. eigenvalues --    0.52457   0.52462   0.53123   0.53685   0.54507
 Alpha virt. eigenvalues --    0.54806   0.54954   0.55469   0.55764   0.55836
 Alpha virt. eigenvalues --    0.56181   0.56373   0.56881   0.57257   0.58120
 Alpha virt. eigenvalues --    0.58390   0.58480   0.58892   0.59206   0.59764
 Alpha virt. eigenvalues --    0.59895   0.60160   0.60576   0.61275   0.61388
 Alpha virt. eigenvalues --    0.61801   0.61970   0.62138   0.62830   0.63114
 Alpha virt. eigenvalues --    0.63629   0.63987   0.64363   0.64637   0.64799
 Alpha virt. eigenvalues --    0.65729   0.65839   0.66325   0.66725   0.66972
 Alpha virt. eigenvalues --    0.67250   0.67839   0.68099   0.68357   0.68672
 Alpha virt. eigenvalues --    0.69068   0.69233   0.69678   0.70007   0.70145
 Alpha virt. eigenvalues --    0.71344   0.71415   0.71738   0.72452   0.72686
 Alpha virt. eigenvalues --    0.73192   0.73605   0.73722   0.74490   0.74996
 Alpha virt. eigenvalues --    0.75382   0.75646   0.76004   0.76255   0.76583
 Alpha virt. eigenvalues --    0.77064   0.77458   0.77752   0.78031   0.78386
 Alpha virt. eigenvalues --    0.78762   0.79016   0.80059   0.80590   0.80988
 Alpha virt. eigenvalues --    0.81215   0.81648   0.82429   0.82770   0.82911
 Alpha virt. eigenvalues --    0.84000   0.84163   0.84896   0.85162   0.85468
 Alpha virt. eigenvalues --    0.85906   0.86463   0.86573   0.86736   0.87435
 Alpha virt. eigenvalues --    0.87777   0.88261   0.88799   0.89289   0.89451
 Alpha virt. eigenvalues --    0.89818   0.90203   0.91073   0.91564   0.91875
 Alpha virt. eigenvalues --    0.91960   0.92141   0.92879   0.93351   0.94155
 Alpha virt. eigenvalues --    0.95096   0.95451   0.95751   0.96576   0.97102
 Alpha virt. eigenvalues --    0.97548   0.97715   0.98594   0.98836   0.99417
 Alpha virt. eigenvalues --    1.00020   1.00211   1.00761   1.00969   1.01328
 Alpha virt. eigenvalues --    1.01514   1.02630   1.03020   1.03722   1.04483
 Alpha virt. eigenvalues --    1.04839   1.05416   1.06858   1.07130   1.07301
 Alpha virt. eigenvalues --    1.08062   1.08706   1.09306   1.09692   1.09961
 Alpha virt. eigenvalues --    1.10137   1.10730   1.11404   1.11528   1.12336
 Alpha virt. eigenvalues --    1.12732   1.13236   1.13826   1.14849   1.15202
 Alpha virt. eigenvalues --    1.15430   1.15807   1.16246   1.16792   1.17407
 Alpha virt. eigenvalues --    1.17636   1.17803   1.18760   1.19195   1.19387
 Alpha virt. eigenvalues --    1.19690   1.19776   1.20305   1.20850   1.21480
 Alpha virt. eigenvalues --    1.22283   1.22816   1.23858   1.24067   1.24900
 Alpha virt. eigenvalues --    1.25194   1.26160   1.26418   1.26615   1.26801
 Alpha virt. eigenvalues --    1.27567   1.28021   1.28461   1.29496   1.29969
 Alpha virt. eigenvalues --    1.30282   1.31097   1.31692   1.32038   1.32903
 Alpha virt. eigenvalues --    1.34142   1.34409   1.34977   1.36096   1.36699
 Alpha virt. eigenvalues --    1.37234   1.37908   1.38294   1.38502   1.39785
 Alpha virt. eigenvalues --    1.40528   1.40598   1.41220   1.41860   1.42689
 Alpha virt. eigenvalues --    1.44123   1.44550   1.44783   1.45502   1.47031
 Alpha virt. eigenvalues --    1.47357   1.48834   1.49540   1.50082   1.50510
 Alpha virt. eigenvalues --    1.50804   1.51466   1.52255   1.52779   1.53975
 Alpha virt. eigenvalues --    1.54576   1.55132   1.56226   1.56686   1.58614
 Alpha virt. eigenvalues --    1.58666   1.59273   1.59533   1.60665   1.61250
 Alpha virt. eigenvalues --    1.61464   1.62064   1.62143   1.62858   1.63767
 Alpha virt. eigenvalues --    1.64346   1.65079   1.66237   1.67468   1.67608
 Alpha virt. eigenvalues --    1.68174   1.69817   1.70354   1.71279   1.72127
 Alpha virt. eigenvalues --    1.73716   1.74450   1.75266   1.75983   1.76683
 Alpha virt. eigenvalues --    1.77286   1.77987   1.78593   1.79986   1.80161
 Alpha virt. eigenvalues --    1.80429   1.82256   1.82922   1.83311   1.84735
 Alpha virt. eigenvalues --    1.85393   1.85883   1.86597   1.87727   1.88472
 Alpha virt. eigenvalues --    1.88680   1.89669   1.90076   1.91049   1.91155
 Alpha virt. eigenvalues --    1.91867   1.92958   1.93441   1.94148   1.95737
 Alpha virt. eigenvalues --    1.96007   1.96672   1.97200   1.97671   1.98263
 Alpha virt. eigenvalues --    1.99027   1.99550   1.99881   2.00266   2.01386
 Alpha virt. eigenvalues --    2.01945   2.02557   2.03732   2.03793   2.05423
 Alpha virt. eigenvalues --    2.05760   2.05949   2.06398   2.07009   2.07454
 Alpha virt. eigenvalues --    2.07822   2.09096   2.09302   2.10018   2.10496
 Alpha virt. eigenvalues --    2.10841   2.11916   2.12903   2.13620   2.14529
 Alpha virt. eigenvalues --    2.15010   2.15453   2.16590   2.17862   2.19833
 Alpha virt. eigenvalues --    2.20749   2.21483   2.22116   2.22534   2.23228
 Alpha virt. eigenvalues --    2.24612   2.24847   2.25037   2.25537   2.28280
 Alpha virt. eigenvalues --    2.28313   2.28853   2.29782   2.31129   2.32780
 Alpha virt. eigenvalues --    2.33531   2.34099   2.35041   2.36262   2.36426
 Alpha virt. eigenvalues --    2.37462   2.38794   2.39302   2.40970   2.41267
 Alpha virt. eigenvalues --    2.41586   2.44148   2.44643   2.45034   2.45462
 Alpha virt. eigenvalues --    2.47062   2.47808   2.48197   2.48557   2.49452
 Alpha virt. eigenvalues --    2.50821   2.51440   2.52275   2.52613   2.53691
 Alpha virt. eigenvalues --    2.54578   2.55577   2.56567   2.57169   2.57762
 Alpha virt. eigenvalues --    2.58084   2.58264   2.58943   2.59917   2.60946
 Alpha virt. eigenvalues --    2.62300   2.65291   2.66542   2.68188   2.69254
 Alpha virt. eigenvalues --    2.71407   2.72055   2.80173   2.80275   2.80934
 Alpha virt. eigenvalues --    2.82675   2.84048   2.84347   2.85440   2.86670
 Alpha virt. eigenvalues --    2.87655   2.87736   2.90108   2.91273   2.93580
 Alpha virt. eigenvalues --    2.93988   2.94138   2.94847   2.95292   2.95370
 Alpha virt. eigenvalues --    2.95846   2.97580   2.98636   2.98967   3.01617
 Alpha virt. eigenvalues --    3.04594   3.06467   3.07797   3.09093   3.09253
 Alpha virt. eigenvalues --    3.09887   3.10850   3.12269   3.13032   3.13587
 Alpha virt. eigenvalues --    3.17663   3.21712   3.22337   3.24516   3.26162
 Alpha virt. eigenvalues --    3.28327   3.31045   3.50285   3.51891   3.57129
 Alpha virt. eigenvalues --    3.58474   3.62153   3.65362   3.66816   3.68640
 Alpha virt. eigenvalues --    3.72724   3.85241   4.06422
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  H    7.233763  -1.430515  -2.318979  -1.174232   0.059693   0.119970
     2  C   -1.430515  11.939834  -1.061410  -0.752943   0.960747  -0.058973
     3  C   -2.318979  -1.061410   9.550524   0.793686  -1.069643  -0.969254
     4  H   -1.174232  -0.752943   0.793686   3.464616  -0.890598  -0.911570
     5  C    0.059693   0.960747  -1.069643  -0.890598   8.349452   0.378019
     6  H    0.119970  -0.058973  -0.969254  -0.911570   0.378019   3.320985
     7  C    0.281384  -0.502428   0.846723  -0.077932  -0.497152  -0.698315
     8  H   -0.044212   0.343410   0.016152   0.106639  -1.473534  -0.898070
     9  C    0.430865  -0.489120  -0.465032   0.051102   0.551099   0.149122
    10  C   -0.018631   0.028004   0.093292  -0.015520   0.116635   0.048543
    11  C   -2.098862  -1.606636   0.620173  -0.073958  -0.528278   0.110715
    12  C   -0.053417  -1.166650   0.066373  -0.007593   0.123296  -0.002843
    13  C   -0.084167  -0.020939   0.005079   0.005264   0.031004  -0.003810
    14  C    0.004907   0.023325   0.004313  -0.000329  -0.023329  -0.000480
    15  C   -0.607215  -0.465718   0.117129   0.031829   0.033312  -0.003894
    16  C    0.180081   0.171619  -0.014431  -0.001648  -0.002077   0.000094
    17  C    0.004546   0.017276  -0.000282   0.000007  -0.000321  -0.000004
    18  C    0.004326   0.025432   0.001795  -0.000149  -0.001424   0.000096
    19  C    0.429158  -0.106872  -0.073095  -0.027601  -0.006312   0.002421
    20  C   -0.126376  -0.015373   0.005843   0.000608   0.000620  -0.000070
    21  C   -0.009814   0.002681   0.000221   0.000014   0.000012   0.000002
    22  C    0.005538   0.005500  -0.000305   0.000011  -0.000010  -0.000001
    23  C   -0.414284   0.228399   0.051143   0.006520  -0.004934  -0.001090
    24  C    0.022677  -0.006849  -0.003948  -0.000819   0.000059   0.000009
    25  C    0.015417  -0.009582  -0.003744   0.000410  -0.000306  -0.000030
    26  C    0.105372  -0.016751   0.001389  -0.001659   0.000551  -0.000043
    27  C   -0.013756   0.020643   0.002878  -0.002583  -0.001388   0.000039
    28  C   -0.008148  -0.001836   0.015084   0.004369   0.000260   0.000776
    29  C    0.002009  -0.085006  -0.018117   0.002523   0.006444  -0.004307
    30  C    0.172071  -0.042311  -0.055420  -0.009051  -0.007098   0.003815
    31  H    0.004104  -0.019582   0.017951  -0.001217   0.056367   0.007905
    32  H   -0.000738  -0.013098  -0.001784   0.000039   0.000110  -0.000052
    33  H   -0.001168  -0.005383   0.000101   0.000002   0.000002  -0.000000
    34  H    0.000688   0.006814  -0.000029  -0.000004  -0.000051   0.000001
    35  H    0.003604  -0.001642   0.000016   0.000001  -0.000001   0.000000
    36  H   -0.000840   0.001381  -0.000021  -0.000001   0.000001  -0.000000
    37  H    0.001120  -0.000326  -0.000298  -0.000035   0.000001   0.000000
    38  H   -0.005358   0.002707   0.001959   0.000639  -0.000069  -0.000001
    39  H    0.004303  -0.004921  -0.001003  -0.000496   0.000184   0.000002
    40  H   -0.000299   0.003427  -0.001119  -0.001417   0.001331   0.000451
    41  Br   0.001407  -0.010442   0.000650  -0.000098   0.000228   0.002546
    42  H    0.021396   0.134615   0.000622   0.001290  -0.002208  -0.000265
               7          8          9         10         11         12
     1  H    0.281384  -0.044212   0.430865  -0.018631  -2.098862  -0.053417
     2  C   -0.502428   0.343410  -0.489120   0.028004  -1.606636  -1.166650
     3  C    0.846723   0.016152  -0.465032   0.093292   0.620173   0.066373
     4  H   -0.077932   0.106639   0.051102  -0.015520  -0.073958  -0.007593
     5  C   -0.497152  -1.473534   0.551099   0.116635  -0.528278   0.123296
     6  H   -0.698315  -0.898070   0.149122   0.048543   0.110715  -0.002843
     7  C    9.701614  -0.300865  -2.151934  -0.953750   0.469924   0.135585
     8  H   -0.300865   4.458101  -0.983448  -0.303498   0.439654  -0.086141
     9  C   -2.151934  -0.983448  17.102247  -0.967107  -5.277090   0.724546
    10  C   -0.953750  -0.303498  -0.967107   9.139027   0.059875  -0.969515
    11  C    0.469924   0.439654  -5.277090   0.059875  19.844718  -6.012260
    12  C    0.135585  -0.086141   0.724546  -0.969515  -6.012260  20.391012
    13  C    0.147506   0.018806  -2.265520   0.678455   0.680303  -2.581147
    14  C    0.154148   0.075914   0.463282  -0.768051  -0.316793   0.380770
    15  C    0.016271   0.007199  -0.125952   0.134807   1.319255  -5.599763
    16  C    0.000386  -0.000232   0.070099   0.028168  -0.151024  -0.425010
    17  C   -0.000947  -0.000001   0.021077  -0.014608   0.096739  -0.690930
    18  C   -0.017351  -0.002445   0.278628   0.120930  -0.028654   0.043860
    19  C   -0.001817  -0.001878   0.193736   0.004139  -1.097036   1.311342
    20  C    0.000148   0.000017  -0.009516   0.000020   0.206714  -0.166702
    21  C    0.000008  -0.000002  -0.000319  -0.000314  -0.002489   0.089483
    22  C   -0.000042   0.000004   0.002102  -0.001174   0.032079   0.030211
    23  C   -0.010927   0.003111  -0.181803   0.004157   0.457288  -1.034462
    24  C   -0.000019   0.000000   0.000232  -0.000032  -0.024840   0.032077
    25  C    0.000069  -0.000002   0.000215  -0.000013  -0.006502   0.006890
    26  C   -0.000179  -0.000011  -0.003856   0.000119  -0.162377   0.179672
    27  C   -0.000565   0.000010  -0.000684   0.000068  -0.009546  -0.008462
    28  C   -0.002265   0.000188   0.002289  -0.000315  -0.014372   0.004841
    29  C   -0.008832   0.001718   0.010817  -0.002649   0.041968  -0.012209
    30  C    0.044167  -0.008146   0.014815  -0.004024   0.224787  -0.179764
    31  H   -0.357923  -0.359429  -0.420458  -0.132320  -0.004757   0.097200
    32  H    0.033963   0.005206  -0.053065  -0.719879   0.110386   0.221889
    33  H    0.000067   0.000001  -0.005870   0.000013  -0.010685   0.135705
    34  H   -0.002070  -0.000115   0.030912   0.037381  -0.004415   0.010089
    35  H   -0.000000  -0.000000   0.000013   0.000003   0.001114  -0.015035
    36  H    0.000001  -0.000000   0.000095  -0.000048  -0.003040   0.005897
    37  H    0.000001   0.000000  -0.000018   0.000000  -0.001678   0.001649
    38  H   -0.000001   0.000000   0.000012  -0.000001   0.002555  -0.002158
    39  H    0.000035  -0.000002   0.000029  -0.000003   0.002019  -0.000716
    40  H   -0.000190  -0.000017   0.000068   0.000014  -0.002199   0.000753
    41  Br   0.009671  -0.000896  -0.010057   0.001548   0.016258  -0.007316
    42  H   -0.022603   0.003429   0.071663   0.002127  -0.352169   0.361293
              13         14         15         16         17         18
     1  H   -0.084167   0.004907  -0.607215   0.180081   0.004546   0.004326
     2  C   -0.020939   0.023325  -0.465718   0.171619   0.017276   0.025432
     3  C    0.005079   0.004313   0.117129  -0.014431  -0.000282   0.001795
     4  H    0.005264  -0.000329   0.031829  -0.001648   0.000007  -0.000149
     5  C    0.031004  -0.023329   0.033312  -0.002077  -0.000321  -0.001424
     6  H   -0.003810  -0.000480  -0.003894   0.000094  -0.000004   0.000096
     7  C    0.147506   0.154148   0.016271   0.000386  -0.000947  -0.017351
     8  H    0.018806   0.075914   0.007199  -0.000232  -0.000001  -0.002445
     9  C   -2.265520   0.463282  -0.125952   0.070099   0.021077   0.278628
    10  C    0.678455  -0.768051   0.134807   0.028168  -0.014608   0.120930
    11  C    0.680303  -0.316793   1.319255  -0.151024   0.096739  -0.028654
    12  C   -2.581147   0.380770  -5.599763  -0.425010  -0.690930   0.043860
    13  C   15.489184  -1.883753  -0.040098  -2.013394   0.523508  -1.124126
    14  C   -1.883753   9.684081   0.042503   0.183619   0.095287  -1.132586
    15  C   -0.040098   0.042503  19.355684  -2.672207   0.164658  -0.660663
    16  C   -2.013394   0.183619  -2.672207  15.848362  -1.087742   0.493172
    17  C    0.523508   0.095287   0.164658  -1.087742   9.079466  -0.817964
    18  C   -1.124126  -1.132586  -0.660663   0.493172  -0.817964   9.340850
    19  C   -0.128244   0.029212  -5.980419  -0.501513  -0.001852   0.092485
    20  C    0.013875   0.003197   0.116613  -2.011691   0.244220   0.032298
    21  C    0.033808  -0.001037  -0.600858   0.488100   0.149022  -0.012554
    22  C    0.247549  -0.015372   0.067839  -1.041243  -1.118076   0.150341
    23  C    0.190488  -0.023408   1.047800  -0.061021   0.039752  -0.008217
    24  C    0.002599  -0.000037  -0.027301   0.179543  -0.013827  -0.000819
    25  C   -0.000134  -0.000025   0.117938   0.027747  -0.001095  -0.000300
    26  C   -0.007000  -0.000017   0.059548   0.081384   0.001651  -0.000669
    27  C    0.000562  -0.000032   0.023080   0.001403  -0.000028  -0.000017
    28  C    0.000250   0.000119   0.000051  -0.000717  -0.000029   0.000011
    29  C   -0.000930  -0.002162   0.095855  -0.011626  -0.000608   0.000207
    30  C   -0.056870  -0.015114  -0.405017   0.160076   0.003039   0.001495
    31  H    0.172111  -0.883184  -0.006290  -0.003763   0.000479   0.036100
    32  H   -0.752589   0.182396  -0.056700   0.025432   0.057435  -0.337393
    33  H   -0.030727   0.048562   0.275248  -0.877803   0.274967  -0.842481
    34  H   -0.534807  -0.332680   0.082681   0.084920  -0.730757   0.076062
    35  H   -0.003595   0.000031   0.118281   0.074942   0.029310  -0.000449
    36  H    0.031295  -0.001587   0.204426  -0.840295  -0.322413   0.043057
    37  H   -0.000092  -0.000000  -0.071592   0.025248  -0.001581   0.000005
    38  H    0.000021   0.000001   0.000586  -0.004136   0.000067   0.000001
    39  H   -0.000022   0.000001   0.001230  -0.000058   0.000002  -0.000001
    40  H   -0.000014   0.000002  -0.000872   0.000040  -0.000001   0.000001
    41  Br   0.000776   0.003183   0.002651   0.000583   0.000056  -0.000106
    42  H   -0.062146   0.023637  -0.237203   0.104122   0.000724  -0.005520
              19         20         21         22         23         24
     1  H    0.429158  -0.126376  -0.009814   0.005538  -0.414284   0.022677
     2  C   -0.106872  -0.015373   0.002681   0.005500   0.228399  -0.006849
     3  C   -0.073095   0.005843   0.000221  -0.000305   0.051143  -0.003948
     4  H   -0.027601   0.000608   0.000014   0.000011   0.006520  -0.000819
     5  C   -0.006312   0.000620   0.000012  -0.000010  -0.004934   0.000059
     6  H    0.002421  -0.000070   0.000002  -0.000001  -0.001090   0.000009
     7  C   -0.001817   0.000148   0.000008  -0.000042  -0.010927  -0.000019
     8  H   -0.001878   0.000017  -0.000002   0.000004   0.003111   0.000000
     9  C    0.193736  -0.009516  -0.000319   0.002102  -0.181803   0.000232
    10  C    0.004139   0.000020  -0.000314  -0.001174   0.004157  -0.000032
    11  C   -1.097036   0.206714  -0.002489   0.032079   0.457288  -0.024840
    12  C    1.311342  -0.166702   0.089483   0.030211  -1.034462   0.032077
    13  C   -0.128244   0.013875   0.033808   0.247549   0.190488   0.002599
    14  C    0.029212   0.003197  -0.001037  -0.015372  -0.023408  -0.000037
    15  C   -5.980419   0.116613  -0.600858   0.067839   1.047800  -0.027301
    16  C   -0.501513  -2.011691   0.488100  -1.041243  -0.061021   0.179543
    17  C   -0.001852   0.244220   0.149022  -1.118076   0.039752  -0.013827
    18  C    0.092485   0.032298  -0.012554   0.150341  -0.008217  -0.000819
    19  C   21.734605  -2.542521  -0.126995  -0.606363  -6.127596   0.511460
    20  C   -2.542521  15.262034  -1.095383   0.508919   0.483207  -1.802118
    21  C   -0.126995  -1.095383   9.270447  -0.775291   0.058354  -1.075982
    22  C   -0.606363   0.508919  -0.775291   9.035717   0.089288   0.073191
    23  C   -6.127596   0.483207   0.058354   0.089288  19.802072  -0.533804
    24  C    0.511460  -1.802118  -1.075982   0.073191  -0.533804   9.439664
    25  C   -1.002595   0.624127   0.077962  -0.016155   0.344030  -0.546519
    26  C    0.096023  -2.256393   0.241223   0.017397  -4.421986   0.506277
    27  C    0.230644   0.142996  -0.008419  -0.000625   0.141525   0.085321
    28  C    0.117172   0.032313  -0.000555  -0.000175  -0.606776  -0.012756
    29  C    0.387238   0.030923  -0.000144  -0.000800   0.367818   0.001487
    30  C   -1.447869   0.082472   0.024605   0.000710  -1.942250   0.037507
    31  H   -0.001656   0.000008   0.000003   0.000057   0.001461   0.000001
    32  H    0.001855  -0.000069  -0.000000  -0.001775  -0.001129   0.000000
    33  H   -0.012193   0.033755   0.040565  -0.335365  -0.001902  -0.001468
    34  H   -0.012775  -0.003896  -0.000444   0.032167   0.000386   0.000022
    35  H   -0.013937  -0.513956   0.048391  -0.690724  -0.003406  -0.295936
    36  H    0.179920  -0.034867  -0.782496   0.228766  -0.012612   0.042999
    37  H    0.231711  -0.703193  -0.279543   0.046520   0.056565   0.063369
    38  H    0.084591   0.181092   0.028622   0.000837   0.146884  -0.764172
    39  H   -0.066856   0.013691  -0.001158  -0.000012   0.139285   0.032502
    40  H   -0.009811  -0.002898   0.000028   0.000001   0.164127   0.001056
    41  Br   0.001962  -0.000342  -0.000114  -0.000062  -0.001674   0.000018
    42  H   -0.311185  -0.061111   0.005473  -0.000281  -1.375754   0.000192
              25         26         27         28         29         30
     1  H    0.015417   0.105372  -0.013756  -0.008148   0.002009   0.172071
     2  C   -0.009582  -0.016751   0.020643  -0.001836  -0.085006  -0.042311
     3  C   -0.003744   0.001389   0.002878   0.015084  -0.018117  -0.055420
     4  H    0.000410  -0.001659  -0.002583   0.004369   0.002523  -0.009051
     5  C   -0.000306   0.000551  -0.001388   0.000260   0.006444  -0.007098
     6  H   -0.000030  -0.000043   0.000039   0.000776  -0.004307   0.003815
     7  C    0.000069  -0.000179  -0.000565  -0.002265  -0.008832   0.044167
     8  H   -0.000002  -0.000011   0.000010   0.000188   0.001718  -0.008146
     9  C    0.000215  -0.003856  -0.000684   0.002289   0.010817   0.014815
    10  C   -0.000013   0.000119   0.000068  -0.000315  -0.002649  -0.004024
    11  C   -0.006502  -0.162377  -0.009546  -0.014372   0.041968   0.224787
    12  C    0.006890   0.179672  -0.008462   0.004841  -0.012209  -0.179764
    13  C   -0.000134  -0.007000   0.000562   0.000250  -0.000930  -0.056870
    14  C   -0.000025  -0.000017  -0.000032   0.000119  -0.002162  -0.015114
    15  C    0.117938   0.059548   0.023080   0.000051   0.095855  -0.405017
    16  C    0.027747   0.081384   0.001403  -0.000717  -0.011626   0.160076
    17  C   -0.001095   0.001651  -0.000028  -0.000029  -0.000608   0.003039
    18  C   -0.000300  -0.000669  -0.000017   0.000011   0.000207   0.001495
    19  C   -1.002595   0.096023   0.230644   0.117172   0.387238  -1.447869
    20  C    0.624127  -2.256393   0.142996   0.032313   0.030923   0.082472
    21  C    0.077962   0.241223  -0.008419  -0.000555  -0.000144   0.024605
    22  C   -0.016155   0.017397  -0.000625  -0.000175  -0.000800   0.000710
    23  C    0.344030  -4.421986   0.141525  -0.606776   0.367818  -1.942250
    24  C   -0.546519   0.506277   0.085321  -0.012756   0.001487   0.037507
    25  C    8.792898  -0.990217  -0.716275   0.018105   0.029996   0.066050
    26  C   -0.990217  17.176760  -2.232516   0.568313  -1.005599  -0.571352
    27  C   -0.716275  -2.232516   9.156367  -0.153996   0.513200  -0.209732
    28  C    0.018105   0.568313  -0.153996   8.315409  -1.728160  -0.371036
    29  C    0.029996  -1.005599   0.513200  -1.728160  13.817604  -3.003155
    30  C    0.066050  -0.571352  -0.209732  -0.371036  -3.003155  13.260393
    31  H   -0.000000   0.000033  -0.000006   0.000018   0.000971   0.002503
    32  H   -0.000000  -0.000017   0.000002  -0.000005  -0.000178  -0.000088
    33  H   -0.000025  -0.000038   0.000000   0.000000  -0.000006   0.000605
    34  H    0.000003   0.000032   0.000000  -0.000001   0.000040  -0.000097
    35  H    0.021089   0.024367  -0.000890  -0.000026  -0.000144   0.001723
    36  H    0.000522  -0.004744   0.000012   0.000003   0.000101  -0.003177
    37  H   -0.560530  -0.014271   0.004424   0.000424  -0.000720  -0.007077
    38  H   -0.385522  -0.525125  -0.165278   0.024888   0.004372  -0.027774
    39  H   -0.103202  -0.719024  -0.368658  -1.022039   0.216152   0.141701
    40  H    0.011254   0.101303  -0.687829   0.313198  -1.283441   0.231220
    41  Br  -0.001137   0.019582  -0.004045  -0.509899   1.385557  -0.434042
    42  H   -0.019612   0.354171   0.103986   0.266220  -2.592324  -1.234461
              31         32         33         34         35         36
     1  H    0.004104  -0.000738  -0.001168   0.000688   0.003604  -0.000840
     2  C   -0.019582  -0.013098  -0.005383   0.006814  -0.001642   0.001381
     3  C    0.017951  -0.001784   0.000101  -0.000029   0.000016  -0.000021
     4  H   -0.001217   0.000039   0.000002  -0.000004   0.000001  -0.000001
     5  C    0.056367   0.000110   0.000002  -0.000051  -0.000001   0.000001
     6  H    0.007905  -0.000052  -0.000000   0.000001   0.000000  -0.000000
     7  C   -0.357923   0.033963   0.000067  -0.002070  -0.000000   0.000001
     8  H   -0.359429   0.005206   0.000001  -0.000115  -0.000000  -0.000000
     9  C   -0.420458  -0.053065  -0.005870   0.030912   0.000013   0.000095
    10  C   -0.132320  -0.719879   0.000013   0.037381   0.000003  -0.000048
    11  C   -0.004757   0.110386  -0.010685  -0.004415   0.001114  -0.003040
    12  C    0.097200   0.221889   0.135705   0.010089  -0.015035   0.005897
    13  C    0.172111  -0.752589  -0.030727  -0.534807  -0.003595   0.031295
    14  C   -0.883184   0.182396   0.048562  -0.332680   0.000031  -0.001587
    15  C   -0.006290  -0.056700   0.275248   0.082681   0.118281   0.204426
    16  C   -0.003763   0.025432  -0.877803   0.084920   0.074942  -0.840295
    17  C    0.000479   0.057435   0.274967  -0.730757   0.029310  -0.322413
    18  C    0.036100  -0.337393  -0.842481   0.076062  -0.000449   0.043057
    19  C   -0.001656   0.001855  -0.012193  -0.012775  -0.013937   0.179920
    20  C    0.000008  -0.000069   0.033755  -0.003896  -0.513956  -0.034867
    21  C    0.000003  -0.000000   0.040565  -0.000444   0.048391  -0.782496
    22  C    0.000057  -0.001775  -0.335365   0.032167  -0.690724   0.228766
    23  C    0.001461  -0.001129  -0.001902   0.000386  -0.003406  -0.012612
    24  C    0.000001   0.000000  -0.001468   0.000022  -0.295936   0.042999
    25  C   -0.000000  -0.000000  -0.000025   0.000003   0.021089   0.000522
    26  C    0.000033  -0.000017  -0.000038   0.000032   0.024367  -0.004744
    27  C   -0.000006   0.000002   0.000000   0.000000  -0.000890   0.000012
    28  C    0.000018  -0.000005   0.000000  -0.000001  -0.000026   0.000003
    29  C    0.000971  -0.000178  -0.000006   0.000040  -0.000144   0.000101
    30  C    0.002503  -0.000088   0.000605  -0.000097   0.001723  -0.003177
    31  H    3.221131  -0.589115  -0.000068   0.003137  -0.000000   0.000001
    32  H   -0.589115   3.016269   0.008278  -0.257303   0.000001  -0.000075
    33  H   -0.000068   0.008278   3.015619  -0.622294   0.002708  -0.242728
    34  H    0.003137  -0.257303  -0.622294   2.866819  -0.000021   0.003211
    35  H   -0.000000   0.000001   0.002708  -0.000021   2.820899  -0.587526
    36  H    0.000001  -0.000075  -0.242728   0.003211  -0.587526   2.911437
    37  H    0.000000  -0.000000  -0.000062   0.000001  -0.231301   0.007145
    38  H   -0.000000   0.000000   0.000001  -0.000000   0.001886  -0.000052
    39  H   -0.000000   0.000000  -0.000000   0.000000  -0.000046   0.000000
    40  H    0.000001  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    41  Br   0.001561  -0.000318   0.000032  -0.000128   0.000017  -0.000012
    42  H   -0.003346   0.001479  -0.000465   0.002192   0.000119  -0.000351
              37         38         39         40         41         42
     1  H    0.001120  -0.005358   0.004303  -0.000299   0.001407   0.021396
     2  C   -0.000326   0.002707  -0.004921   0.003427  -0.010442   0.134615
     3  C   -0.000298   0.001959  -0.001003  -0.001119   0.000650   0.000622
     4  H   -0.000035   0.000639  -0.000496  -0.001417  -0.000098   0.001290
     5  C    0.000001  -0.000069   0.000184   0.001331   0.000228  -0.002208
     6  H    0.000000  -0.000001   0.000002   0.000451   0.002546  -0.000265
     7  C    0.000001  -0.000001   0.000035  -0.000190   0.009671  -0.022603
     8  H    0.000000   0.000000  -0.000002  -0.000017  -0.000896   0.003429
     9  C   -0.000018   0.000012   0.000029   0.000068  -0.010057   0.071663
    10  C    0.000000  -0.000001  -0.000003   0.000014   0.001548   0.002127
    11  C   -0.001678   0.002555   0.002019  -0.002199   0.016258  -0.352169
    12  C    0.001649  -0.002158  -0.000716   0.000753  -0.007316   0.361293
    13  C   -0.000092   0.000021  -0.000022  -0.000014   0.000776  -0.062146
    14  C   -0.000000   0.000001   0.000001   0.000002   0.003183   0.023637
    15  C   -0.071592   0.000586   0.001230  -0.000872   0.002651  -0.237203
    16  C    0.025248  -0.004136  -0.000058   0.000040   0.000583   0.104122
    17  C   -0.001581   0.000067   0.000002  -0.000001   0.000056   0.000724
    18  C    0.000005   0.000001  -0.000001   0.000001  -0.000106  -0.005520
    19  C    0.231711   0.084591  -0.066856  -0.009811   0.001962  -0.311185
    20  C   -0.703193   0.181092   0.013691  -0.002898  -0.000342  -0.061111
    21  C   -0.279543   0.028622  -0.001158   0.000028  -0.000114   0.005473
    22  C    0.046520   0.000837  -0.000012   0.000001  -0.000062  -0.000281
    23  C    0.056565   0.146884   0.139285   0.164127  -0.001674  -1.375754
    24  C    0.063369  -0.764172   0.032502   0.001056   0.000018   0.000192
    25  C   -0.560530  -0.385522  -0.103202   0.011254  -0.001137  -0.019612
    26  C   -0.014271  -0.525125  -0.719024   0.101303   0.019582   0.354171
    27  C    0.004424  -0.165278  -0.368658  -0.687829  -0.004045   0.103986
    28  C    0.000424   0.024888  -1.022039   0.313198  -0.509899   0.266220
    29  C   -0.000720   0.004372   0.216152  -1.283441   1.385557  -2.592324
    30  C   -0.007077  -0.027774   0.141701   0.231220  -0.434042  -1.234461
    31  H    0.000000  -0.000000  -0.000000   0.000001   0.001561  -0.003346
    32  H   -0.000000   0.000000   0.000000  -0.000000  -0.000318   0.001479
    33  H   -0.000062   0.000001  -0.000000  -0.000000   0.000032  -0.000465
    34  H    0.000001  -0.000000   0.000000   0.000000  -0.000128   0.002192
    35  H   -0.231301   0.001886  -0.000046   0.000000   0.000017   0.000119
    36  H    0.007145  -0.000052   0.000000  -0.000000  -0.000012  -0.000351
    37  H    2.834121  -0.516118  -0.000738   0.000028  -0.000018  -0.000022
    38  H   -0.516118   2.999818  -0.213856   0.000729  -0.000276   0.002042
    39  H   -0.000738  -0.213856   3.409535  -0.546712   0.024885  -0.024806
    40  H    0.000028   0.000729  -0.546712   3.158425  -0.251516   0.061750
    41  Br  -0.000018  -0.000276   0.024885  -0.251516  35.503937  -0.284363
    42  H   -0.000022   0.002042  -0.024806   0.061750  -0.284363   5.979829
 Mulliken charges:
               1
     1  H    0.302615
     2  C   -0.020504
     3  C   -0.155185
     4  H    0.481883
     5  C   -0.160693
     6  H    0.407560
     7  C   -0.233569
     8  H   -0.016615
     9  C   -0.758214
    10  C    0.374126
    11  C   -0.946867
    12  C    0.667659
    13  C   -0.678320
    14  C   -0.002514
    15  C    0.125290
    16  C   -0.507509
    17  C   -0.000220
    18  C    0.252737
    19  C    0.569317
    20  C   -0.673236
    21  C    0.214889
    22  C    0.029109
    23  C   -1.054624
    24  C    0.078984
    25  C    0.208801
    26  C   -0.601322
    27  C    0.158171
    28  C    0.748803
    29  C   -1.155881
    30  C    1.561172
    31  H    0.160012
    32  H    0.120633
    33  H    0.154498
    34  H    0.264327
    35  H    0.210122
    36  H    0.176612
    37  H    0.116882
    38  H    0.125588
    39  H    0.088772
    40  H   -0.260874
    41  Br  -0.460242
    42  H    0.087824
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     2  C    0.282111
     3  C    0.326698
     5  C    0.246866
     7  C   -0.250183
     9  C   -0.758214
    10  C    0.534139
    11  C   -0.946867
    12  C    0.667659
    13  C   -0.678320
    14  C    0.118119
    15  C    0.125290
    16  C   -0.507509
    17  C    0.154278
    18  C    0.517064
    19  C    0.569317
    20  C   -0.673236
    21  C    0.425011
    22  C    0.205721
    23  C   -1.054624
    24  C    0.195866
    25  C    0.334388
    26  C   -0.601322
    27  C    0.246943
    28  C    0.487929
    29  C   -1.155881
    30  C    1.648996
    41  Br  -0.460242
 Electronic spatial extent (au):  <R**2>=           9170.7542
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.4959    Y=              0.5458    Z=              0.7742  Tot=              1.7706
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -158.3298   YY=           -151.3653   ZZ=           -170.6315
   XY=             -2.1480   XZ=              7.6217   YZ=              8.0834
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7791   YY=              8.7436   ZZ=            -10.5227
   XY=             -2.1480   XZ=              7.6217   YZ=              8.0834
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             63.1873  YYY=             18.0415  ZZZ=            -38.7581  XYY=             44.8209
  XXY=              6.1868  XXZ=            -17.6278  XZZ=             49.4271  YZZ=             -0.1629
  YYZ=            -17.3577  XYZ=            -15.1326
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5330.0849 YYYY=          -4573.4217 ZZZZ=          -1633.8822 XXXY=            -36.3329
 XXXZ=            -46.5739 YYYX=             -5.9506 YYYZ=            151.0130 ZZZX=           -120.8932
 ZZZY=             20.5669 XXYY=          -1622.1639 XXZZ=          -1205.5597 YYZZ=          -1121.1095
 XXYZ=             42.0458 YYXZ=            -16.3538 ZZXY=              7.5361
 N-N= 2.775508918898D+03 E-N=-1.401336312164D+04  KE= 3.558501687716D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 23:53:50 2021, MaxMem=  5637144576 cpu:              16.4 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.57213074D-01 2.19256303D-01 3.03059924D-01
 Polarizability= 4.08146991D+02-1.87080107D+01 3.73842522D+02
                 4.12699117D+01 4.43260150D+01 2.21766771D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0001    0.0000      -24.6592  -24.6580       -9.2840   -9.2820
 2     24.6593   24.6580      -21.0727  -21.0700      -15.7215  -15.7219
 3      9.2840    9.2820      110.2656  110.2527       21.0651   21.0700
 4     21.0727   21.0700       -0.0000    0.0000        9.2844    9.2820
 5    -94.5441  -94.5308       -9.2844   -9.2820      -24.6646  -24.6580
 6    -21.0650  -21.0700       24.6645   24.6580       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       73.9740   73.9740      -27.8460  -27.8460
 2     63.2100   63.2100        0.0000    0.0000      -27.8460  -27.8460
 3     63.2100   63.2100       73.9740   73.9740        0.0000    0.0000
 4     73.9740   73.9740      -63.2100  -63.2100      -47.1657  -47.1657
 5     27.8460   27.8460      330.7580  330.7580       63.2100   63.2100
 6   -283.5923 -283.5923      -27.8460  -27.8460      -73.9740  -73.9740
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1991    0.0000       98.6988   98.6321       37.3346   37.1280
 2    -98.6492  -98.6321       84.2571   84.2800       62.6726   62.8876
 3    -36.9912  -37.1280     -440.8155 -441.0107      -83.8337  -84.2800
 4    -84.3328  -84.2800       -0.4073    0.0000      -37.0250  -37.1280
 5    378.6155  378.1231       37.0807   37.1280       99.1094   98.6321
 6     84.0242   84.2800      -98.5901  -98.6321       -0.0196    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4035    0.0000      331.1041  330.6423      189.6804  189.5209
 2   -331.4601 -330.6423      765.6487  765.2442      638.8384  637.6344
 3   -189.1624 -189.5209    -1024.8308-1026.1257     -763.3476 -765.2442
 4   -764.6813 -765.2442        0.2072    0.0000     -188.4685 -189.5209
 5    389.5701  388.4913      188.7917  189.5209      332.6993  330.6423
 6    764.7918  765.2442     -331.5109 -330.6423       -2.8432    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1   -238.9270 -239.0777     -310.4070 -310.9145     -264.7552 -264.4663
 2   -453.4785 -453.5109     -156.1867 -156.8404     -264.0166 -264.4663
 3   -452.9360 -453.5109     -310.4709 -310.9145     -326.6884 -326.7201
 4   -154.5721 -154.0741      214.3533  214.4332      253.8436  253.0897
 5    -60.9244  -62.2538     -404.4117 -404.6298     -213.5574 -214.4332
 6    152.8008  151.5401       60.3614   62.2538      153.9943  154.0741
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0060   -0.0048    0.0025    2.3449    3.5803    4.6462
 Low frequencies ---   31.2184   49.5315   55.0044
 Diagonal vibrational polarizability:
        8.4768510       6.5698066      16.0660510
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.2174                49.5313                55.0043
 Red. masses --      8.8014                 6.2034                 6.2240
 Frc consts  --      0.0051                 0.0090                 0.0111
 IR Inten    --      0.0449                 0.1345                 0.0498
 RamAct Fr= 1--      7.8684                12.0216                 8.3488
  Dep-P Fr= 1--      0.7023                 0.5258                 0.7145
  Dep-U Fr= 1--      0.8251                 0.6892                 0.8335
 Alpha2 Fr= 1--      0.0065                 0.0523                 0.0051
 Beta2  Fr= 1--      1.0821                 1.3809                 1.1598
 AlphaG Fr= 1--     -0.1171                -0.0373                 0.0350
 Gamma2 Fr= 1--     -7.0042                -6.2176                -6.3498
 Delta2 Fr= 1--     -2.5455                -0.4223                -2.9294
 Raman1 Fr= 1--      31.474                 48.087                 33.395
 ROA1   Fr= 1--    -753.857               -610.407               -703.322
 CID1   Fr= 1--     -23.952                -12.694                -21.061
 Raman2 Fr= 1--      12.985                 16.571                 13.917
 ROA2   Fr= 1--    -147.736               -145.845               -128.959
 CID2   Fr= 1--     -11.377                 -8.801                 -9.266
 Raman3 Fr= 1--      25.970                 33.141                 27.834
 ROA3   Fr= 1--    -753.857               -610.407               -703.322
 CID3   Fr= 1--     -29.028                -18.418                -25.268
 RC180  Fr= 1--       0.650                  0.378                  0.667
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.05  -0.00  -0.03    -0.12   0.01   0.05     0.09   0.05  -0.08
     2   6     0.07   0.02  -0.09    -0.07   0.06   0.03     0.07   0.02  -0.08
     3   6     0.14   0.06  -0.17    -0.04   0.13   0.00     0.12   0.05  -0.14
     4   1     0.18   0.06  -0.18    -0.08   0.13   0.01     0.18   0.10  -0.19
     5   6     0.18   0.10  -0.26     0.03   0.21  -0.04     0.08   0.02  -0.13
     6   1     0.24   0.13  -0.33     0.06   0.27  -0.07     0.12   0.04  -0.18
     7   6     0.14   0.10  -0.25     0.07   0.20  -0.04    -0.01  -0.05  -0.04
     8   1     0.16   0.12  -0.31     0.13   0.25  -0.06    -0.04  -0.08  -0.02
     9   6     0.07   0.06  -0.16     0.05   0.12  -0.00    -0.06  -0.07   0.02
    10   6     0.03   0.05  -0.14     0.08   0.11   0.00    -0.15  -0.13   0.12
    11   6     0.03   0.03  -0.08    -0.01   0.07   0.02    -0.01  -0.03  -0.02
    12   6    -0.02   0.01  -0.02    -0.01   0.02   0.01    -0.04  -0.04   0.01
    13   6    -0.04   0.01  -0.00     0.03   0.01   0.02    -0.11  -0.07   0.10
    14   6    -0.02   0.02  -0.06     0.07   0.05   0.02    -0.17  -0.13   0.17
    15   6    -0.04   0.01   0.01    -0.01   0.00  -0.02    -0.01  -0.02  -0.04
    16   6    -0.05  -0.01   0.06     0.00   0.00  -0.06    -0.02   0.00  -0.04
    17   6    -0.07  -0.02   0.10     0.03  -0.01  -0.05    -0.07  -0.02   0.03
    18   6    -0.07  -0.01   0.07     0.04  -0.01  -0.01    -0.11  -0.07   0.11
    19   6    -0.04   0.01  -0.03    -0.01  -0.01  -0.01     0.00  -0.01  -0.05
    20   6    -0.04   0.02  -0.03    -0.00   0.00  -0.03     0.01  -0.00  -0.08
    21   6    -0.04   0.00   0.03     0.00   0.01  -0.09     0.01   0.03  -0.12
    22   6    -0.05  -0.01   0.07     0.01   0.02  -0.11     0.01   0.02  -0.11
    23   6    -0.04   0.02  -0.04    -0.01  -0.03   0.03     0.01  -0.02  -0.00
    24   6    -0.04   0.03  -0.06     0.02  -0.02   0.04     0.00  -0.02  -0.03
    25   6    -0.04   0.03  -0.08     0.03  -0.07   0.14    -0.00  -0.04   0.05
    26   6    -0.04   0.02  -0.06     0.02  -0.08   0.13     0.00  -0.04   0.07
    27   6    -0.03   0.01  -0.03     0.05  -0.14   0.22     0.01  -0.04   0.14
    28   6    -0.02  -0.02   0.03     0.03  -0.14   0.18     0.02  -0.02   0.13
    29   6    -0.02  -0.02   0.04    -0.01  -0.08   0.05     0.03   0.01   0.04
    30   6    -0.03   0.01  -0.01    -0.03  -0.03  -0.02     0.03   0.01  -0.01
    31   1     0.05   0.07  -0.20     0.12   0.14  -0.01    -0.19  -0.17   0.17
    32   1    -0.04   0.02  -0.04     0.11   0.03   0.03    -0.24  -0.16   0.25
    33   1    -0.09  -0.03   0.15     0.04  -0.03  -0.08    -0.07   0.00   0.03
    34   1    -0.09  -0.02   0.09     0.06  -0.02   0.00    -0.15  -0.09   0.18
    35   1    -0.04   0.01   0.03     0.00   0.02  -0.12     0.02   0.04  -0.16
    36   1    -0.06  -0.02   0.11     0.02   0.03  -0.15     0.01   0.03  -0.13
    37   1    -0.04   0.03  -0.07     0.03  -0.01   0.04    -0.00  -0.01  -0.05
    38   1    -0.04   0.04  -0.10     0.04  -0.10   0.21    -0.00  -0.05   0.10
    39   1    -0.03   0.01  -0.04     0.08  -0.18   0.31    -0.00  -0.06   0.21
    40   1    -0.01  -0.03   0.08     0.04  -0.18   0.24     0.02  -0.02   0.18
    41  35     0.01  -0.09   0.18    -0.06  -0.06  -0.06     0.06   0.10  -0.02
    42   1    -0.03   0.01  -0.01    -0.07   0.02  -0.11     0.03   0.02  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --     85.2523                94.2722               105.8558
 Red. masses --      5.5643                 6.4684                 4.5085
 Frc consts  --      0.0238                 0.0339                 0.0298
 IR Inten    --      0.0303                 0.6045                 0.7770
 RamAct Fr= 1--      2.8794                10.9448                 0.3830
  Dep-P Fr= 1--      0.7422                 0.7273                 0.7221
  Dep-U Fr= 1--      0.8520                 0.8421                 0.8386
 Alpha2 Fr= 1--      0.0004                 0.0043                 0.0002
 Beta2  Fr= 1--      0.4089                 1.5361                 0.0535
 AlphaG Fr= 1--     -0.0114                 0.0002                 0.0030
 Gamma2 Fr= 1--    -15.4569                 7.0238                 0.0131
 Delta2 Fr= 1--     -3.5443                 2.5514                -0.1534
 Raman1 Fr= 1--      11.518                 43.779                  1.532
 ROA1   Fr= 1--   -1597.281                755.933                 -3.648
 CID1   Fr= 1--    -138.681                 17.267                 -2.381
 Raman2 Fr= 1--       4.907                 18.434                  0.642
 ROA2   Fr= 1--    -342.612                148.161                  1.542
 CID2   Fr= 1--     -69.828                  8.038                  2.401
 Raman3 Fr= 1--       9.813                 36.867                  1.285
 ROA3   Fr= 1--   -1597.281                755.933                 -3.648
 CID3   Fr= 1--    -162.772                 20.504                 -2.839
 RC180  Fr= 1--       0.704                  0.684                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.14  -0.10   0.09    -0.16   0.05  -0.11     0.20   0.18  -0.21
     2   6    -0.10  -0.07   0.07    -0.13   0.07  -0.08     0.13   0.10  -0.13
     3   6    -0.14  -0.10   0.11    -0.15   0.13  -0.05     0.06   0.04  -0.05
     4   1    -0.20  -0.16   0.18    -0.19   0.14  -0.06     0.08   0.07  -0.09
     5   6    -0.09  -0.04   0.05    -0.12   0.15  -0.00    -0.05  -0.09   0.10
     6   1    -0.11  -0.07   0.09    -0.13   0.19   0.02    -0.12  -0.16   0.19
     7   6     0.01   0.03  -0.05    -0.07   0.11   0.02    -0.08  -0.10   0.12
     8   1     0.05   0.08  -0.10    -0.05   0.13   0.07    -0.16  -0.18   0.22
     9   6     0.03   0.05  -0.07    -0.05   0.06  -0.00     0.01  -0.02   0.02
    10   6     0.07   0.09  -0.15    -0.04   0.03   0.03     0.01  -0.02   0.03
    11   6    -0.03  -0.00  -0.00    -0.06   0.04  -0.06     0.08   0.06  -0.08
    12   6    -0.03  -0.00   0.01    -0.03   0.00  -0.09     0.08   0.05  -0.09
    13   6    -0.03  -0.00   0.02    -0.04  -0.02  -0.05     0.06   0.04  -0.05
    14   6     0.04   0.05  -0.09    -0.03  -0.01   0.01     0.04   0.02  -0.03
    15   6    -0.04  -0.01   0.03    -0.02  -0.01  -0.09     0.03   0.03  -0.06
    16   6    -0.06  -0.03   0.11    -0.05  -0.02   0.00     0.00  -0.02   0.05
    17   6    -0.10  -0.06   0.21    -0.05  -0.02   0.01     0.00  -0.03   0.08
    18   6    -0.09  -0.05   0.14    -0.05  -0.02  -0.02     0.03   0.00   0.01
    19   6    -0.00  -0.01  -0.03     0.01  -0.03  -0.07    -0.01   0.04  -0.10
    20   6     0.01   0.02  -0.10     0.01  -0.06   0.09    -0.02   0.02  -0.05
    21   6    -0.00   0.03  -0.06    -0.01  -0.06   0.21    -0.03  -0.03   0.06
    22   6    -0.05  -0.01   0.07    -0.05  -0.03   0.15    -0.03  -0.05   0.12
    23   6     0.02  -0.04  -0.00     0.01  -0.03  -0.11    -0.02   0.06  -0.11
    24   6     0.02   0.04  -0.18     0.03  -0.09   0.19    -0.02   0.03  -0.06
    25   6     0.02   0.01  -0.12     0.04  -0.10   0.11    -0.02   0.02  -0.03
    26   6     0.02  -0.04  -0.01     0.02  -0.06  -0.04    -0.01   0.02  -0.01
    27   6     0.03  -0.06   0.07     0.01  -0.04  -0.05     0.01  -0.05   0.14
    28   6     0.04  -0.06   0.10     0.01  -0.02  -0.07     0.02  -0.07   0.17
    29   6     0.04  -0.04   0.05     0.03  -0.02  -0.09    -0.01   0.01   0.01
    30   6     0.03  -0.04   0.02     0.02  -0.02  -0.14    -0.03   0.07  -0.13
    31   1     0.13   0.14  -0.23    -0.04   0.03   0.07    -0.03  -0.06   0.08
    32   1     0.06   0.07  -0.12    -0.01  -0.04   0.05     0.03   0.02  -0.03
    33   1    -0.14  -0.09   0.30    -0.07  -0.03   0.05    -0.02  -0.07   0.16
    34   1    -0.12  -0.06   0.18    -0.07  -0.02  -0.01     0.03  -0.01   0.04
    35   1     0.02   0.06  -0.11    -0.01  -0.09   0.34    -0.05  -0.05   0.11
    36   1    -0.06  -0.02   0.13    -0.08  -0.02   0.23    -0.05  -0.10   0.22
    37   1     0.02   0.07  -0.26     0.05  -0.12   0.33    -0.02   0.03  -0.06
    38   1     0.03   0.02  -0.16     0.06  -0.13   0.18    -0.03   0.01   0.00
    39   1     0.02  -0.06   0.09     0.01  -0.06  -0.01     0.04  -0.09   0.24
    40   1     0.04  -0.07   0.14     0.01  -0.02  -0.06     0.04  -0.13   0.30
    41  35     0.07   0.05  -0.04     0.12   0.01   0.02    -0.03  -0.01   0.00
    42   1     0.04  -0.04   0.00     0.03  -0.01  -0.15    -0.06   0.12  -0.22
                      7                      8                      9
                      A                      A                      A
 Frequencies --    132.9327               171.6393               193.4434
 Red. masses --      4.7831                 5.7294                 4.7327
 Frc consts  --      0.0498                 0.0994                 0.1043
 IR Inten    --      0.4082                 0.8018                 0.7538
 RamAct Fr= 1--      0.3994                 5.1474                 4.2652
  Dep-P Fr= 1--      0.7467                 0.7127                 0.6233
  Dep-U Fr= 1--      0.8550                 0.8322                 0.7679
 Alpha2 Fr= 1--      0.0000                 0.0033                 0.0099
 Beta2  Fr= 1--      0.0569                 0.7140                 0.5459
 AlphaG Fr= 1--     -0.0040                 0.0255                -0.0934
 Gamma2 Fr= 1--     -0.9916                 1.4241                 0.1103
 Delta2 Fr= 1--     -0.5917                -0.7089                -0.7255
 Raman1 Fr= 1--       1.597                 20.590                 17.061
 ROA1   Fr= 1--    -114.130                114.026                -12.624
 CID1   Fr= 1--     -71.446                  5.538                 -0.740
 Raman2 Fr= 1--       0.683                  8.568                  6.551
 ROA2   Fr= 1--     -19.066                 39.849                  8.452
 CID2   Fr= 1--     -27.918                  4.651                  1.290
 Raman3 Fr= 1--       1.366                 17.136                 13.101
 ROA3   Fr= 1--    -114.130                114.026                -12.624
 CID3   Fr= 1--     -83.561                  6.654                 -0.964
 RC180  Fr= 1--       0.710                  0.664                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.06   0.03  -0.05     0.21   0.15   0.04     0.06  -0.02   0.14
     2   6     0.04   0.01  -0.03     0.13   0.08   0.05     0.05  -0.03   0.09
     3   6    -0.03  -0.06   0.05     0.18   0.05  -0.02    -0.00  -0.16   0.17
     4   1    -0.07  -0.11   0.10     0.31   0.12  -0.10    -0.06  -0.28   0.29
     5   6    -0.05  -0.09   0.08     0.07  -0.06   0.03     0.04  -0.10   0.05
     6   1    -0.11  -0.16   0.16     0.09  -0.11   0.01     0.02  -0.17   0.08
     7   6     0.01  -0.02   0.00    -0.05  -0.09   0.09     0.11   0.04  -0.11
     8   1    -0.01  -0.04   0.01    -0.13  -0.15   0.09     0.14   0.07  -0.22
     9   6     0.06   0.04  -0.06    -0.05   0.00   0.08     0.08   0.08  -0.06
    10   6     0.06   0.04  -0.07     0.01   0.09  -0.04    -0.00   0.02   0.03
    11   6     0.06   0.04  -0.06    -0.02   0.03   0.11     0.06   0.06   0.01
    12   6     0.03   0.02  -0.04    -0.06   0.03   0.12     0.00   0.05   0.04
    13   6    -0.01  -0.02   0.06     0.01   0.08   0.01    -0.03   0.01   0.11
    14   6     0.02   0.00   0.01     0.06   0.14  -0.12    -0.08  -0.03   0.17
    15   6     0.02   0.01  -0.06    -0.10  -0.00   0.11    -0.01   0.03  -0.02
    16   6     0.02   0.01  -0.04    -0.08   0.00   0.05     0.01   0.04  -0.08
    17   6    -0.04  -0.05   0.13    -0.03   0.02  -0.00     0.04   0.07  -0.14
    18   6    -0.07  -0.08   0.19     0.03   0.08  -0.04     0.02   0.03   0.00
    19   6     0.01   0.02  -0.05    -0.08  -0.02   0.04    -0.04   0.03  -0.03
    20   6     0.01   0.01  -0.03    -0.07   0.01  -0.02    -0.05   0.01   0.04
    21   6     0.03   0.04  -0.16    -0.06   0.05  -0.11    -0.05  -0.02   0.09
    22   6     0.04   0.04  -0.17    -0.06   0.03  -0.07    -0.02   0.02  -0.02
    23   6     0.00   0.04  -0.04    -0.06  -0.08  -0.02    -0.05   0.02  -0.11
    24   6     0.01  -0.04   0.15    -0.03  -0.02   0.03    -0.04   0.01   0.01
    25   6     0.01  -0.05   0.20    -0.02  -0.09   0.07    -0.03   0.01  -0.06
    26   6     0.00   0.01   0.04    -0.05  -0.09   0.01    -0.04   0.00  -0.08
    27   6    -0.01   0.05  -0.04    -0.05  -0.10  -0.03    -0.02  -0.06   0.01
    28   6    -0.02   0.08  -0.12    -0.07  -0.09  -0.08    -0.03  -0.09   0.06
    29   6    -0.02   0.07  -0.10    -0.07  -0.09  -0.08    -0.05  -0.04  -0.06
    30   6    -0.01   0.07  -0.09    -0.08  -0.09  -0.07    -0.07   0.02  -0.17
    31   1     0.08   0.06  -0.11     0.04   0.12  -0.11    -0.02   0.01   0.04
    32   1    -0.01  -0.01   0.04     0.14   0.21  -0.26    -0.16  -0.08   0.28
    33   1    -0.07  -0.08   0.21    -0.01  -0.00  -0.05     0.08   0.09  -0.25
    34   1    -0.12  -0.14   0.32     0.10   0.10  -0.12     0.05   0.02   0.01
    35   1     0.03   0.06  -0.22    -0.04   0.08  -0.20    -0.07  -0.06   0.18
    36   1     0.06   0.06  -0.23    -0.04   0.05  -0.16    -0.01   0.01  -0.03
    37   1     0.00  -0.08   0.25    -0.01   0.01   0.04    -0.03   0.01   0.05
    38   1     0.00  -0.10   0.33     0.02  -0.11   0.12    -0.01   0.01  -0.07
    39   1    -0.01   0.04  -0.02    -0.03  -0.11  -0.02     0.01  -0.09   0.08
    40   1    -0.03   0.10  -0.17    -0.08  -0.09  -0.10    -0.01  -0.15   0.17
    41  35    -0.02  -0.02   0.03     0.09   0.01   0.00     0.03   0.01   0.00
    42   1    -0.01   0.07  -0.09    -0.09  -0.09  -0.06    -0.11   0.05  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    229.5002               261.4071               272.6638
 Red. masses --      4.9411                 6.1723                 5.5048
 Frc consts  --      0.1533                 0.2485                 0.2411
 IR Inten    --      0.0428                 1.6672                 0.5831
 RamAct Fr= 1--      0.7814                 0.6307                 8.8794
  Dep-P Fr= 1--      0.5208                 0.2889                 0.0851
  Dep-U Fr= 1--      0.6849                 0.4483                 0.1568
 Alpha2 Fr= 1--      0.0035                 0.0067                 0.1612
 Beta2  Fr= 1--      0.0892                 0.0471                 0.2320
 AlphaG Fr= 1--     -0.0894                 0.1138                -0.3760
 Gamma2 Fr= 1--      0.0279                -0.5858                10.0689
 Delta2 Fr= 1--     -0.2145                -1.1517                 0.6413
 Raman1 Fr= 1--       3.126                  2.523                 35.517
 ROA1   Fr= 1--      -4.181                -93.094                987.136
 CID1   Fr= 1--      -1.338                -36.902                 27.793
 Raman2 Fr= 1--       1.070                  0.565                  2.784
 ROA2   Fr= 1--       2.387                 -4.846                236.523
 CID2   Fr= 1--       2.230                 -8.570                 84.949
 Raman3 Fr= 1--       2.141                  1.131                  5.569
 ROA3   Fr= 1--      -4.181                -93.094                987.136
 CID3   Fr= 1--      -1.953                -82.320                177.268
 RC180  Fr= 1--       0.370                 -0.103                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.11   0.13  -0.11     0.14   0.14  -0.04    -0.09  -0.11   0.18
     2   6     0.07   0.09  -0.08     0.09   0.09  -0.05    -0.08  -0.09   0.14
     3   6     0.05   0.07  -0.06     0.02  -0.03   0.04     0.01  -0.05   0.04
     4   1     0.09   0.11  -0.11    -0.00  -0.09   0.10     0.05  -0.05   0.04
     5   6    -0.05  -0.03   0.06    -0.02  -0.07   0.05     0.09   0.04  -0.09
     6   1    -0.11  -0.10   0.13    -0.08  -0.17   0.12     0.21   0.14  -0.24
     7   6    -0.06  -0.03   0.05     0.01   0.03  -0.06    -0.00  -0.02  -0.01
     8   1    -0.11  -0.08   0.11    -0.02   0.00  -0.08     0.03   0.01  -0.08
     9   6     0.01   0.05  -0.03     0.03   0.11  -0.08    -0.08  -0.08   0.10
    10   6     0.06   0.09  -0.11    -0.05   0.04   0.04    -0.05  -0.05   0.06
    11   6     0.01   0.04  -0.03     0.05   0.12  -0.08    -0.07  -0.05   0.10
    12   6    -0.03  -0.00   0.01     0.02   0.08  -0.06     0.02   0.03  -0.00
    13   6    -0.06  -0.04   0.08    -0.00   0.06  -0.01     0.06   0.06  -0.07
    14   6     0.02   0.03  -0.02    -0.07   0.01   0.09     0.04   0.05  -0.08
    15   6    -0.00  -0.01  -0.04    -0.03   0.04  -0.05     0.03   0.04  -0.04
    16   6     0.03   0.03  -0.15    -0.06  -0.02   0.01     0.01   0.00   0.00
    17   6    -0.01   0.01  -0.06    -0.02  -0.01  -0.03    -0.02  -0.04   0.12
    18   6    -0.08  -0.07   0.13     0.02   0.04  -0.05     0.02   0.01   0.02
    19   6     0.00  -0.02   0.06    -0.04   0.02  -0.04    -0.00   0.06  -0.07
    20   6    -0.01  -0.06   0.16    -0.07  -0.00  -0.11    -0.05   0.00   0.01
    21   6    -0.01  -0.05   0.11    -0.08  -0.03  -0.03    -0.04  -0.01  -0.04
    22   6     0.03   0.04  -0.14    -0.10  -0.08   0.08     0.00  -0.01  -0.07
    23   6    -0.00  -0.01   0.03     0.01  -0.01   0.13    -0.02   0.12  -0.10
    24   6    -0.03  -0.04   0.11    -0.10  -0.02  -0.04    -0.10  -0.03   0.16
    25   6    -0.03   0.05  -0.14    -0.10  -0.04   0.10    -0.10   0.06   0.01
    26   6    -0.02   0.04  -0.11    -0.05  -0.01   0.13    -0.07   0.14  -0.12
    27   6    -0.01   0.02  -0.08    -0.06   0.06   0.01    -0.04   0.09  -0.02
    28   6     0.02  -0.05   0.12    -0.01   0.12  -0.04     0.02   0.02   0.16
    29   6     0.04  -0.08   0.17     0.09   0.02   0.12     0.06   0.03   0.08
    30   6     0.03  -0.06   0.14     0.10  -0.02   0.25     0.03   0.10  -0.02
    31   1     0.13   0.15  -0.20    -0.10  -0.01   0.13    -0.07  -0.06   0.09
    32   1     0.05   0.04  -0.06    -0.14  -0.05   0.21     0.06   0.09  -0.16
    33   1    -0.01   0.02  -0.08    -0.01  -0.03  -0.04    -0.06  -0.09   0.25
    34   1    -0.12  -0.12   0.24     0.07   0.04  -0.07     0.01  -0.01   0.07
    35   1    -0.02  -0.07   0.18    -0.09  -0.04  -0.00    -0.06  -0.03  -0.06
    36   1     0.05   0.09  -0.24    -0.12  -0.14   0.19     0.02  -0.03  -0.12
    37   1    -0.03  -0.07   0.18    -0.11  -0.02  -0.06    -0.12  -0.12   0.35
    38   1    -0.03   0.09  -0.27    -0.14  -0.05   0.16    -0.14   0.04   0.09
    39   1    -0.03   0.05  -0.16    -0.10   0.10  -0.08    -0.03   0.08  -0.00
    40   1     0.03  -0.07   0.17    -0.07   0.27  -0.18     0.02   0.00   0.33
    41  35     0.01   0.00  -0.03     0.07  -0.08  -0.06     0.06  -0.06  -0.05
    42   1     0.04  -0.07   0.16     0.14  -0.05   0.30     0.01   0.10  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    278.7402               289.9738               320.8722
 Red. masses --      5.1786                 6.6874                 4.5038
 Frc consts  --      0.2371                 0.3313                 0.2732
 IR Inten    --      0.6724                 1.4681                 0.5168
 RamAct Fr= 1--      8.0271                 3.5773                 5.6976
  Dep-P Fr= 1--      0.1241                 0.6017                 0.2942
  Dep-U Fr= 1--      0.2208                 0.7513                 0.4546
 Alpha2 Fr= 1--      0.1324                 0.0098                 0.0595
 Beta2  Fr= 1--      0.2955                 0.4480                 0.4317
 AlphaG Fr= 1--     -0.5640                -0.0381                -0.0450
 Gamma2 Fr= 1--      3.2096                 0.7098                 4.2618
 Delta2 Fr= 1--     -3.0736                -0.0943                 0.7276
 Raman1 Fr= 1--      32.108                 14.309                 22.790
 ROA1   Fr= 1--     209.766                 65.124                432.417
 CID1   Fr= 1--       6.533                  4.551                 18.974
 Raman2 Fr= 1--       3.546                  5.375                  5.180
 ROA2   Fr= 1--     101.619                 17.789                 96.463
 CID2   Fr= 1--      28.661                  3.309                 18.621
 Raman3 Fr= 1--       7.091                 10.751                 10.361
 ROA3   Fr= 1--     209.766                 65.124                432.417
 CID3   Fr= 1--      29.582                  6.057                 41.737
 RC180  Fr= 1--      -0.558                  0.503                 -0.091
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.15    -0.10  -0.09  -0.13     0.02   0.04  -0.13
     2   6    -0.00   0.01   0.12    -0.05  -0.03  -0.09     0.02   0.03  -0.08
     3   6     0.10   0.01   0.01    -0.06   0.06  -0.08    -0.03   0.04  -0.03
     4   1     0.21   0.06  -0.04    -0.09   0.10  -0.12    -0.05   0.05  -0.04
     5   6     0.04  -0.04  -0.01    -0.07   0.04   0.00    -0.08  -0.02   0.06
     6   1     0.09  -0.05  -0.07    -0.11   0.07   0.05    -0.15  -0.07   0.15
     7   6    -0.06  -0.04   0.02    -0.01  -0.01   0.04     0.02   0.02  -0.01
     8   1    -0.09  -0.06  -0.04    -0.00  -0.01   0.14     0.04   0.03   0.03
     9   6    -0.08   0.02   0.06     0.04  -0.06  -0.03     0.06   0.01  -0.06
    10   6     0.02   0.12  -0.10     0.06  -0.04  -0.06     0.03   0.01  -0.06
    11   6    -0.10  -0.00   0.14     0.02  -0.07  -0.05     0.02  -0.03  -0.01
    12   6    -0.10  -0.03   0.12    -0.01  -0.06   0.03    -0.07  -0.09   0.11
    13   6    -0.11  -0.04   0.12    -0.02  -0.07   0.05    -0.07  -0.07   0.07
    14   6    -0.01   0.05  -0.04     0.02  -0.05  -0.00    -0.04  -0.05   0.05
    15   6     0.00  -0.02  -0.06     0.01  -0.02   0.13    -0.05  -0.06   0.18
    16   6     0.00  -0.02  -0.11     0.05   0.02   0.02    -0.06  -0.05   0.20
    17   6    -0.02  -0.00  -0.12     0.05   0.04  -0.03     0.01   0.03  -0.04
    18   6    -0.06  -0.05   0.03    -0.02  -0.04   0.05     0.02   0.05  -0.13
    19   6     0.05  -0.02  -0.11    -0.02   0.01   0.20     0.02  -0.05   0.02
    20   6     0.04  -0.05  -0.09    -0.05   0.02   0.13     0.03  -0.03  -0.03
    21   6     0.01  -0.10   0.10    -0.03   0.00   0.03     0.03   0.04  -0.13
    22   6    -0.02  -0.06   0.05     0.04   0.02  -0.06    -0.03  -0.01   0.03
    23   6     0.06   0.02  -0.05    -0.04   0.08   0.11     0.02   0.02  -0.09
    24   6     0.01  -0.04  -0.10    -0.09   0.11  -0.09     0.01  -0.07   0.08
    25   6    -0.00  -0.04   0.02    -0.11   0.14  -0.02    -0.00  -0.02   0.02
    26   6     0.04  -0.00   0.05    -0.06   0.07   0.16    -0.01   0.05  -0.13
    27   6     0.03   0.04   0.11    -0.04   0.01   0.16    -0.01   0.07  -0.05
    28   6     0.06   0.15  -0.02    -0.07   0.05  -0.03     0.06   0.04   0.13
    29   6     0.08   0.16  -0.08    -0.04   0.10  -0.18     0.08   0.07   0.05
    30   6     0.09   0.10  -0.07    -0.08   0.14  -0.09     0.06   0.07  -0.06
    31   1     0.14   0.24  -0.27     0.08  -0.02  -0.13     0.05   0.04  -0.12
    32   1     0.08   0.11  -0.16     0.02  -0.04  -0.02    -0.04  -0.06   0.07
    33   1     0.01   0.04  -0.19     0.07   0.10  -0.11     0.07   0.13  -0.24
    34   1    -0.02  -0.06   0.03    -0.07  -0.03   0.05     0.09   0.17  -0.38
    35   1     0.00  -0.14   0.28    -0.04  -0.00  -0.05     0.09   0.13  -0.30
    36   1    -0.05  -0.09   0.18     0.08   0.03  -0.18    -0.01   0.03  -0.06
    37   1    -0.00  -0.05  -0.14    -0.12   0.14  -0.32    -0.01  -0.13   0.22
    38   1    -0.04  -0.04   0.06    -0.14   0.20  -0.18    -0.02  -0.05   0.13
    39   1    -0.01   0.01   0.22     0.03  -0.04   0.26    -0.06   0.07  -0.02
    40   1     0.05   0.19  -0.01    -0.07   0.08   0.00     0.08   0.02   0.28
    41  35    -0.02  -0.02   0.00     0.10  -0.08  -0.03    -0.01  -0.01  -0.01
    42   1     0.15   0.07  -0.04    -0.15   0.16  -0.10     0.11   0.06  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    337.5360               381.6756               415.6942
 Red. masses --      4.7187                 5.2936                 6.4502
 Frc consts  --      0.3167                 0.4544                 0.6567
 IR Inten    --      0.1115                 1.5314                 0.7206
 RamAct Fr= 1--     11.2832                 3.6424                65.8818
  Dep-P Fr= 1--      0.3889                 0.5107                 0.0637
  Dep-U Fr= 1--      0.5600                 0.6761                 0.1198
 Alpha2 Fr= 1--      0.0869                 0.0171                 1.2593
 Beta2  Fr= 1--      1.0531                 0.4104                 1.3160
 AlphaG Fr= 1--      0.2124                -0.0663                -4.0329
 Gamma2 Fr= 1--      3.6279                 0.2837                30.7868
 Delta2 Fr= 1--     -1.5361                -2.1536                 4.5310
 Raman1 Fr= 1--      45.133                 14.570                263.527
 ROA1   Fr= 1--     299.126                -41.679               3100.527
 CID1   Fr= 1--       6.628                 -2.861                 11.765
 Raman2 Fr= 1--      12.637                  4.925                 15.792
 ROA2   Fr= 1--      99.360                 24.037                702.635
 CID2   Fr= 1--       7.862                  4.880                 44.494
 Raman3 Fr= 1--      25.274                  9.851                 31.583
 ROA3   Fr= 1--     299.126                -41.679               3100.527
 CID3   Fr= 1--      11.835                 -4.231                 98.170
 RC180  Fr= 1--       0.120                  0.352                 -0.760
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09   0.12   0.07    -0.05  -0.16  -0.07    -0.10   0.02   0.04
     2   6     0.05   0.09   0.02     0.02  -0.11  -0.03    -0.06   0.05   0.04
     3   6     0.01  -0.03   0.07    -0.02   0.01   0.02    -0.03   0.06  -0.01
     4   1     0.00  -0.10   0.14    -0.13   0.04   0.01     0.04   0.04  -0.00
     5   6     0.01  -0.03  -0.00     0.07   0.09   0.07    -0.09   0.01  -0.08
     6   1     0.01  -0.09  -0.01     0.07   0.19   0.08    -0.08  -0.03  -0.09
     7   6    -0.01   0.05  -0.07     0.13   0.01   0.13    -0.10  -0.02  -0.05
     8   1    -0.03   0.04  -0.14     0.18   0.04   0.21    -0.11  -0.03  -0.00
     9   6    -0.06   0.09  -0.01     0.14  -0.10   0.06    -0.06   0.02  -0.07
    10   6    -0.12   0.02   0.10     0.04  -0.07   0.02    -0.09   0.04  -0.10
    11   6     0.00   0.12  -0.02     0.11  -0.09  -0.04     0.02   0.04   0.04
    12   6     0.01   0.04  -0.04     0.04  -0.01  -0.03     0.10   0.05   0.04
    13   6     0.03   0.08  -0.12    -0.01   0.03  -0.03    -0.00   0.09   0.05
    14   6    -0.03   0.05  -0.04     0.04   0.04  -0.03    -0.13   0.03  -0.00
    15   6    -0.05  -0.04   0.04    -0.01  -0.01  -0.01     0.20   0.03   0.05
    16   6    -0.05  -0.05   0.03    -0.05   0.14  -0.02     0.23   0.06   0.08
    17   6    -0.07  -0.06   0.09    -0.07   0.16  -0.00     0.11   0.15   0.09
    18   6    -0.00   0.02  -0.05    -0.09   0.12   0.05     0.03   0.12   0.06
    19   6     0.03  -0.10   0.13    -0.00  -0.05  -0.08     0.13  -0.03   0.01
    20   6     0.03  -0.13   0.17    -0.00  -0.04  -0.02     0.08  -0.09  -0.05
    21   6     0.04  -0.06  -0.00    -0.03   0.09   0.08     0.12  -0.07  -0.01
    22   6     0.01   0.01  -0.13    -0.06   0.15  -0.03     0.19  -0.06   0.02
    23   6     0.04  -0.08   0.04     0.01  -0.11  -0.08     0.05  -0.05  -0.03
    24   6     0.01  -0.08  -0.01    -0.04  -0.06  -0.04    -0.09  -0.09  -0.07
    25   6     0.01  -0.03  -0.16    -0.04  -0.11  -0.05    -0.12  -0.09   0.02
    26   6     0.02  -0.06   0.00    -0.07  -0.13  -0.04    -0.10  -0.06  -0.00
    27   6     0.01  -0.01   0.08    -0.12  -0.03   0.06    -0.14  -0.02  -0.02
    28   6     0.05   0.08   0.02    -0.04   0.11   0.01    -0.13  -0.03   0.03
    29   6     0.05   0.13  -0.10     0.06   0.08   0.00    -0.02  -0.06   0.01
    30   6     0.07   0.05  -0.07     0.10  -0.05   0.01     0.01  -0.08  -0.05
    31   1    -0.19  -0.05   0.27    -0.03  -0.14  -0.03    -0.09   0.04  -0.14
    32   1    -0.03   0.01   0.01     0.06   0.06  -0.07    -0.24   0.04   0.02
    33   1    -0.11  -0.12   0.19    -0.07   0.16  -0.01     0.08   0.27   0.13
    34   1     0.03   0.00  -0.03    -0.19   0.11   0.10    -0.00   0.13   0.06
    35   1     0.09   0.02  -0.12     0.03   0.13   0.20     0.12  -0.07  -0.01
    36   1     0.05   0.12  -0.33    -0.05   0.17  -0.07     0.22  -0.17   0.00
    37   1     0.01  -0.05  -0.13    -0.04  -0.06  -0.05    -0.15  -0.16  -0.14
    38   1    -0.01   0.05  -0.38     0.01  -0.12  -0.07    -0.13  -0.10   0.06
    39   1    -0.05  -0.03   0.17    -0.24  -0.04   0.15    -0.16  -0.00  -0.06
    40   1     0.05   0.10   0.08    -0.08   0.22   0.04    -0.15   0.02   0.04
    41  35    -0.02  -0.01   0.01    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
    42   1     0.15   0.04  -0.08     0.24  -0.10   0.05    -0.01  -0.06  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    429.2723               437.9534               443.7107
 Red. masses --      3.9897                 3.6532                 5.3199
 Frc consts  --      0.4332                 0.4128                 0.6171
 IR Inten    --      0.4676                 2.8741                 1.6001
 RamAct Fr= 1--      8.7869                 2.6575                 3.5028
  Dep-P Fr= 1--      0.4005                 0.6513                 0.5513
  Dep-U Fr= 1--      0.5719                 0.7888                 0.7107
 Alpha2 Fr= 1--      0.0650                 0.0047                 0.0133
 Beta2  Fr= 1--      0.8376                 0.3494                 0.4149
 AlphaG Fr= 1--      0.0857                 0.1763                -0.1424
 Gamma2 Fr= 1--     -0.9161                -0.1631                -4.6263
 Delta2 Fr= 1--     -1.0696                 0.0119                -3.1211
 Raman1 Fr= 1--      35.148                 10.630                 14.011
 ROA1   Fr= 1--    -122.175                -15.277               -544.003
 CID1   Fr= 1--      -3.476                 -1.437                -38.827
 Raman2 Fr= 1--      10.051                  4.193                  4.979
 ROA2   Fr= 1--     -13.431                 -4.010                -86.064
 CID2   Fr= 1--      -1.336                 -0.956                -17.285
 Raman3 Fr= 1--      20.102                  8.385                  9.958
 ROA3   Fr= 1--    -122.175                -15.277               -544.003
 CID3   Fr= 1--      -6.078                 -1.822                -54.630
 RC180  Fr= 1--       0.144                  0.578                  0.421
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.24  -0.21   0.22     0.14   0.20  -0.22    -0.06  -0.08  -0.12
     2   6    -0.14  -0.10   0.10     0.04   0.09  -0.09    -0.00  -0.02  -0.06
     3   6     0.03   0.02  -0.11    -0.05  -0.02   0.00    -0.08   0.01   0.01
     4   1     0.13   0.06  -0.16    -0.03  -0.03   0.01    -0.15  -0.01   0.04
     5   6    -0.01  -0.02  -0.10    -0.09  -0.05  -0.01    -0.03   0.06  -0.02
     6   1    -0.01  -0.02  -0.10    -0.10  -0.07   0.00    -0.03   0.12  -0.03
     7   6    -0.13  -0.13   0.05     0.02   0.05  -0.13     0.03  -0.00   0.01
     8   1    -0.28  -0.27   0.20     0.13   0.16  -0.25     0.09   0.04   0.08
     9   6     0.02   0.06  -0.09    -0.07  -0.05   0.01     0.04  -0.10  -0.00
    10   6     0.10   0.04  -0.06     0.00  -0.07   0.02    -0.07  -0.08  -0.03
    11   6    -0.01   0.04  -0.03    -0.06  -0.04   0.06     0.09  -0.04  -0.03
    12   6     0.04   0.08  -0.05    -0.03  -0.02   0.09     0.03   0.07   0.08
    13   6     0.09   0.03   0.05     0.05  -0.02   0.05    -0.02   0.12   0.08
    14   6    -0.01  -0.06   0.15     0.04  -0.02  -0.04    -0.06   0.12  -0.05
    15   6    -0.04   0.05  -0.01     0.01   0.02   0.03     0.01   0.05   0.11
    16   6    -0.05   0.02   0.05     0.03   0.01   0.02     0.04   0.01   0.01
    17   6     0.08  -0.01   0.03     0.07  -0.01   0.05     0.03   0.06  -0.02
    18   6     0.13   0.03   0.03     0.08   0.01   0.02     0.00   0.06   0.09
    19   6    -0.04   0.03  -0.01    -0.01   0.05  -0.10    -0.03   0.05   0.03
    20   6    -0.06   0.02   0.04    -0.02   0.04  -0.00    -0.16  -0.07  -0.03
    21   6    -0.07   0.03  -0.03    -0.02   0.01   0.03    -0.20  -0.14  -0.01
    22   6    -0.07   0.02  -0.01     0.03   0.02  -0.03    -0.08  -0.13  -0.09
    23   6    -0.00  -0.05  -0.02    -0.02   0.02  -0.11     0.03   0.05   0.03
    24   6    -0.00  -0.01   0.06    -0.01   0.02   0.07    -0.02  -0.11  -0.03
    25   6     0.03  -0.03  -0.08     0.00   0.03  -0.06     0.01  -0.10  -0.02
    26   6     0.01  -0.05  -0.05    -0.02   0.01  -0.08     0.14   0.03   0.01
    27   6     0.02  -0.04   0.06     0.01  -0.09   0.17     0.20   0.00  -0.03
    28   6     0.04   0.05  -0.02    -0.03   0.04  -0.09     0.16  -0.04  -0.05
    29   6     0.03   0.06  -0.05    -0.01   0.03  -0.08     0.04  -0.01  -0.01
    30   6     0.06  -0.02   0.03     0.04  -0.09   0.14     0.01   0.04   0.01
    31   1     0.13   0.06  -0.03     0.04  -0.02   0.01    -0.16  -0.15  -0.10
    32   1    -0.15  -0.13   0.31     0.04   0.04  -0.13    -0.14   0.21  -0.16
    33   1     0.11  -0.09  -0.02     0.08  -0.03   0.03     0.05   0.09  -0.07
    34   1     0.15   0.03   0.02     0.09   0.03  -0.03     0.05   0.03   0.13
    35   1    -0.06   0.06  -0.09    -0.05  -0.02   0.07    -0.24  -0.19   0.03
    36   1    -0.05   0.02  -0.07     0.04   0.01  -0.07    -0.03  -0.25  -0.18
    37   1     0.05   0.04   0.12    -0.00  -0.00   0.19     0.05  -0.03   0.02
    38   1     0.06  -0.02  -0.15     0.04   0.01  -0.03    -0.11  -0.08   0.01
    39   1    -0.03  -0.07   0.17     0.04  -0.19   0.43     0.25   0.00  -0.05
    40   1     0.03   0.06  -0.00    -0.03   0.06  -0.11     0.19  -0.12  -0.10
    41  35    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.01
    42   1     0.14  -0.06   0.08     0.12  -0.21   0.37    -0.01   0.05  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    446.3126               484.3024               495.1203
 Red. masses --      4.4477                 3.7316                 4.9061
 Frc consts  --      0.5220                 0.5157                 0.7086
 IR Inten    --      0.7696                 0.3737                 0.1571
 RamAct Fr= 1--      3.2243                 4.0614                 0.6802
  Dep-P Fr= 1--      0.1452                 0.6319                 0.5146
  Dep-U Fr= 1--      0.2535                 0.7744                 0.6795
 Alpha2 Fr= 1--      0.0505                 0.0087                 0.0031
 Beta2  Fr= 1--      0.1362                 0.5242                 0.0770
 AlphaG Fr= 1--     -0.1269                 0.0121                -0.0349
 Gamma2 Fr= 1--      1.8822                -0.8505                -0.5908
 Delta2 Fr= 1--     -0.8716                -2.3344                -0.0884
 Raman1 Fr= 1--      12.897                 16.246                  2.721
 ROA1   Fr= 1--     152.802               -156.352                -59.547
 CID1   Fr= 1--      11.848                 -9.624                -21.886
 Raman2 Fr= 1--       1.635                  6.291                  0.924
 ROA2   Fr= 1--      52.145                 -1.738                -13.473
 CID2   Fr= 1--      31.896                 -0.276                -14.575
 Raman3 Fr= 1--       3.270                 12.581                  1.849
 ROA3   Fr= 1--     152.802               -156.352                -59.547
 CID3   Fr= 1--      46.732                -12.427                -32.208
 RC180  Fr= 1--      -0.493                  0.549                  0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.03   0.10  -0.07     0.01   0.02  -0.03    -0.10  -0.14  -0.01
     2   6    -0.01   0.07  -0.05    -0.02  -0.02   0.02    -0.01  -0.06  -0.00
     3   6    -0.06  -0.05  -0.01     0.05   0.06  -0.06    -0.02   0.03  -0.01
     4   1    -0.04  -0.11   0.04     0.13   0.15  -0.16    -0.07   0.03  -0.00
     5   6    -0.06  -0.04  -0.09    -0.06  -0.06   0.07    -0.00   0.05   0.01
     6   1    -0.04  -0.04  -0.13    -0.13  -0.12   0.16    -0.03   0.06   0.05
     7   6    -0.06  -0.01  -0.11     0.04   0.02  -0.04     0.03  -0.02   0.05
     8   1    -0.04   0.02  -0.18     0.06   0.04  -0.04     0.03  -0.04   0.18
     9   6    -0.10  -0.02   0.00     0.05   0.02  -0.05     0.09  -0.03  -0.04
    10   6     0.01  -0.08   0.07     0.04  -0.00  -0.03    -0.08  -0.01  -0.05
    11   6    -0.03   0.04  -0.02    -0.07  -0.08   0.09     0.08  -0.02  -0.03
    12   6    -0.01   0.02   0.04    -0.05  -0.04   0.07    -0.01   0.06   0.07
    13   6     0.11  -0.02   0.06     0.04   0.01  -0.06    -0.06   0.13   0.02
    14   6     0.11  -0.02  -0.06    -0.02  -0.06   0.07    -0.12   0.14   0.00
    15   6    -0.07  -0.00   0.10     0.00   0.00  -0.01    -0.04   0.01   0.07
    16   6    -0.03   0.04  -0.03    -0.01   0.04  -0.02     0.03  -0.16  -0.04
    17   6     0.12   0.00  -0.05    -0.04  -0.03   0.18    -0.06  -0.17  -0.03
    18   6     0.10  -0.04   0.16     0.06   0.08  -0.12     0.02  -0.07  -0.06
    19   6    -0.04  -0.01   0.06     0.00   0.02  -0.08    -0.06   0.06  -0.01
    20   6    -0.02   0.05  -0.00    -0.02  -0.03   0.02     0.02   0.14   0.05
    21   6    -0.04   0.04   0.08    -0.05  -0.04   0.15     0.07  -0.08   0.05
    22   6    -0.03   0.06  -0.01     0.01   0.07  -0.16     0.14  -0.08  -0.06
    23   6    -0.01  -0.07  -0.03     0.00   0.04  -0.04    -0.04  -0.05  -0.11
    24   6     0.03   0.07  -0.10    -0.00  -0.00  -0.10     0.05   0.20   0.01
    25   6     0.05  -0.09   0.09    -0.01  -0.03   0.06     0.09   0.03   0.06
    26   6    -0.01  -0.10   0.02     0.03  -0.00   0.09    -0.05  -0.08  -0.04
    27   6    -0.08   0.05  -0.12     0.03   0.04  -0.04    -0.09  -0.03   0.01
    28   6     0.02   0.06   0.09     0.01  -0.00  -0.01    -0.03   0.07   0.01
    29   6     0.06   0.03   0.11     0.02  -0.05   0.09     0.03   0.03   0.06
    30   6     0.04   0.04  -0.11    -0.02   0.03  -0.04     0.04  -0.03   0.00
    31   1     0.05  -0.05   0.17     0.03  -0.02  -0.00    -0.22  -0.12  -0.11
    32   1     0.11   0.04  -0.14    -0.09  -0.13   0.19    -0.22   0.16   0.01
    33   1     0.17  -0.07  -0.15    -0.10  -0.12   0.35    -0.07  -0.17   0.00
    34   1     0.07  -0.09   0.25     0.06   0.12  -0.20     0.20  -0.12  -0.05
    35   1    -0.04   0.03   0.14    -0.06  -0.08   0.30    -0.06  -0.20   0.04
    36   1    -0.03   0.09  -0.02     0.04   0.11  -0.30     0.14   0.00  -0.09
    37   1     0.07   0.15  -0.21    -0.00   0.04  -0.23     0.10   0.27  -0.02
    38   1     0.13  -0.13   0.15    -0.05  -0.01   0.05     0.28  -0.03   0.10
    39   1    -0.21   0.14  -0.28     0.03   0.09  -0.18    -0.18  -0.02   0.05
    40   1     0.00   0.12   0.11     0.00   0.02  -0.13    -0.06   0.15   0.01
    41  35    -0.00  -0.01  -0.01    -0.00   0.00  -0.00    -0.00  -0.01  -0.00
    42   1     0.09   0.09  -0.25    -0.06   0.07  -0.11     0.14  -0.06   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --    522.2632               527.7929               539.7651
 Red. masses --      3.8141                 4.3240                 3.5163
 Frc consts  --      0.6129                 0.7097                 0.6036
 IR Inten    --      7.5938                 8.3409                26.6497
 RamAct Fr= 1--      4.7240                10.5438                 1.2797
  Dep-P Fr= 1--      0.1075                 0.0694                 0.5813
  Dep-U Fr= 1--      0.1942                 0.1298                 0.7352
 Alpha2 Fr= 1--      0.0812                 0.1988                 0.0040
 Beta2  Fr= 1--      0.1529                 0.2282                 0.1568
 AlphaG Fr= 1--     -0.4751                -0.1191                 0.0884
 Gamma2 Fr= 1--      1.2027                 3.7594                -2.1891
 Delta2 Fr= 1--      1.1916                -0.1501                -0.5399
 Raman1 Fr= 1--      18.896                 42.175                  5.119
 ROA1   Fr= 1--     153.586                356.101               -227.431
 CID1   Fr= 1--       8.128                  8.443                -44.432
 Raman2 Fr= 1--       1.834                  2.738                  1.882
 ROA2   Fr= 1--      19.331                 91.427                -48.219
 CID2   Fr= 1--      10.538                 33.390                -25.625
 Raman3 Fr= 1--       3.669                  5.476                  3.763
 ROA3   Fr= 1--     153.586                356.101               -227.431
 CID3   Fr= 1--      41.865                 65.026                -60.431
 RC180  Fr= 1--      -0.612                 -0.740                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.17  -0.14   0.17    -0.02  -0.01  -0.15     0.08   0.07  -0.03
     2   6    -0.06  -0.03   0.01    -0.01  -0.01  -0.10     0.05   0.05  -0.04
     3   6    -0.02  -0.06  -0.05    -0.08  -0.06  -0.04    -0.06  -0.09   0.08
     4   1    -0.08  -0.15   0.05    -0.12  -0.09  -0.01    -0.14  -0.19   0.19
     5   6     0.04   0.00  -0.08    -0.02   0.01  -0.06     0.10   0.06  -0.08
     6   1     0.01   0.00  -0.03    -0.01   0.10  -0.08     0.21   0.17  -0.22
     7   6    -0.04  -0.07   0.04     0.03  -0.05  -0.01    -0.06  -0.03   0.06
     8   1    -0.20  -0.22   0.16     0.07  -0.02  -0.01    -0.06  -0.03   0.00
     9   6     0.05   0.10  -0.05     0.00  -0.08   0.04    -0.08  -0.02   0.10
    10   6    -0.02   0.03   0.12     0.03  -0.03   0.01     0.04   0.07  -0.03
    11   6     0.06   0.10  -0.11     0.03  -0.02  -0.02     0.03   0.06  -0.07
    12   6    -0.05  -0.03   0.04    -0.04   0.08   0.09     0.02  -0.02  -0.07
    13   6    -0.00  -0.01  -0.01     0.01   0.10   0.18    -0.08  -0.10   0.06
    14   6     0.08   0.06  -0.03     0.01   0.12   0.06     0.00  -0.05   0.03
    15   6    -0.06  -0.05   0.14    -0.05   0.02  -0.10     0.04   0.01  -0.02
    16   6    -0.04  -0.01   0.04    -0.12  -0.03  -0.01     0.02  -0.03   0.14
    17   6    -0.01   0.01  -0.03    -0.03  -0.08   0.01     0.01   0.02   0.04
    18   6    -0.02  -0.02   0.03     0.13   0.07   0.01    -0.03  -0.01  -0.08
    19   6     0.05  -0.04  -0.04     0.06  -0.03  -0.12    -0.01   0.05  -0.07
    20   6     0.08  -0.06  -0.06     0.12  -0.07   0.00    -0.05   0.00   0.11
    21   6     0.06  -0.05   0.11     0.13   0.01  -0.01    -0.05  -0.01   0.02
    22   6     0.01   0.05  -0.08    -0.06   0.04   0.01     0.04  -0.00  -0.06
    23   6    -0.00   0.10  -0.10     0.05  -0.01   0.09    -0.02   0.03  -0.09
    24   6     0.00  -0.04  -0.10     0.02  -0.08   0.06    -0.02   0.04  -0.01
    25   6    -0.04   0.04   0.10    -0.03   0.08  -0.08     0.01  -0.01  -0.01
    26   6    -0.01   0.12  -0.05    -0.00   0.01   0.13     0.02  -0.04   0.08
    27   6     0.04  -0.00   0.05    -0.03   0.03   0.00     0.01  -0.02   0.03
    28   6    -0.03  -0.04  -0.05    -0.07  -0.02   0.00     0.00   0.03  -0.07
    29   6    -0.02  -0.05   0.00    -0.03  -0.04   0.02     0.04  -0.06   0.14
    30   6    -0.02  -0.02   0.08    -0.04   0.02  -0.05     0.01   0.00  -0.03
    31   1    -0.10  -0.05   0.31     0.04  -0.02  -0.15     0.18   0.20  -0.19
    32   1     0.13   0.03  -0.01    -0.03   0.24  -0.10     0.13  -0.01  -0.07
    33   1     0.03   0.03  -0.13     0.02  -0.21  -0.07     0.04   0.15  -0.08
    34   1    -0.01  -0.00  -0.01     0.33   0.08  -0.10    -0.01   0.10  -0.30
    35   1     0.11  -0.02   0.21     0.22   0.09   0.03    -0.06  -0.00  -0.13
    36   1     0.02   0.16  -0.19    -0.10   0.18   0.06     0.10   0.02  -0.28
    37   1    -0.08  -0.14  -0.08    -0.06  -0.16   0.02     0.02   0.12  -0.14
    38   1    -0.13  -0.01   0.30    -0.10   0.17  -0.29     0.02   0.02  -0.14
    39   1     0.15  -0.06   0.16    -0.00   0.09  -0.17    -0.01   0.02  -0.07
    40   1    -0.02  -0.07  -0.07    -0.08   0.01  -0.10    -0.03   0.13  -0.28
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    42   1    -0.05  -0.07   0.21    -0.14   0.09  -0.18     0.01   0.04  -0.11
                     28                     29                     30
                      A                      A                      A
 Frequencies --    544.7328               575.3028               588.1071
 Red. masses --      6.1560                 3.3634                 3.9451
 Frc consts  --      1.0763                 0.6559                 0.8039
 IR Inten    --      1.4138                 0.2650                10.1792
 RamAct Fr= 1--      9.4465                 5.6109                 5.8714
  Dep-P Fr= 1--      0.2159                 0.1376                 0.1583
  Dep-U Fr= 1--      0.3551                 0.2420                 0.2733
 Alpha2 Fr= 1--      0.1230                 0.0895                 0.0889
 Beta2  Fr= 1--      0.5591                 0.2263                 0.2675
 AlphaG Fr= 1--     -0.1285                -1.9280                -0.7817
 Gamma2 Fr= 1--      0.4352                -3.5915                 1.0333
 Delta2 Fr= 1--      0.1768                 0.7563                 0.9066
 Raman1 Fr= 1--      37.786                 22.444                 23.486
 ROA1   Fr= 1--      47.439               -320.584                128.212
 CID1   Fr= 1--       1.255                -14.284                  5.459
 Raman2 Fr= 1--       6.709                  2.715                  3.210
 ROA2   Fr= 1--       9.031                -92.246                 17.547
 CID2   Fr= 1--       1.346                -33.973                  5.467
 Raman3 Fr= 1--      13.417                  5.431                  6.419
 ROA3   Fr= 1--      47.439               -320.584                128.212
 CID3   Fr= 1--       3.536                -59.033                 19.973
 RC180  Fr= 1--      -0.290                 -0.516                 -0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00  -0.06   0.13     0.15   0.13  -0.17    -0.07  -0.07   0.07
     2   6     0.12   0.04   0.16     0.05   0.03  -0.07     0.03   0.03  -0.03
     3   6     0.06   0.17   0.25    -0.05  -0.06   0.05    -0.03  -0.04   0.03
     4   1     0.03   0.09   0.33    -0.08  -0.05   0.04    -0.15  -0.18   0.18
     5   6    -0.01   0.14  -0.01     0.03   0.04  -0.03     0.04   0.04  -0.07
     6   1     0.08  -0.03  -0.12     0.14   0.16  -0.16     0.03   0.02  -0.06
     7   6    -0.16   0.08   0.03    -0.02  -0.02   0.04    -0.05  -0.03   0.04
     8   1    -0.13   0.08   0.22     0.08   0.08  -0.08    -0.16  -0.13   0.15
     9   6    -0.03  -0.08  -0.16    -0.07  -0.08   0.09     0.01   0.04  -0.03
    10   6    -0.05  -0.20  -0.19     0.07   0.05  -0.10    -0.00  -0.00   0.03
    11   6     0.14   0.07   0.00    -0.02  -0.03   0.01     0.06   0.07  -0.08
    12   6     0.07  -0.01   0.03     0.04   0.06  -0.08    -0.08  -0.07   0.11
    13   6     0.07  -0.04   0.03     0.02   0.05   0.00    -0.05  -0.08   0.06
    14   6    -0.09  -0.20  -0.14    -0.06  -0.02   0.12     0.03  -0.03  -0.03
    15   6    -0.05  -0.07  -0.01    -0.03   0.00  -0.02     0.03  -0.00  -0.01
    16   6    -0.10  -0.02  -0.01    -0.05  -0.00  -0.04     0.08   0.04  -0.06
    17   6    -0.01  -0.04  -0.02    -0.03  -0.04   0.03    -0.01  -0.01   0.14
    18   6     0.08   0.02   0.04     0.05   0.04  -0.03     0.02   0.03  -0.11
    19   6    -0.01  -0.05  -0.06     0.01  -0.04   0.12    -0.03   0.03  -0.04
    20   6     0.04  -0.03  -0.02     0.03  -0.03   0.01    -0.04   0.08  -0.14
    21   6     0.02   0.03   0.04     0.03  -0.02   0.04    -0.06  -0.00   0.05
    22   6    -0.06   0.07  -0.02    -0.03   0.03  -0.03     0.05   0.02  -0.06
    23   6    -0.03   0.03  -0.01    -0.00   0.01   0.00     0.01  -0.08   0.18
    24   6     0.04  -0.02  -0.01     0.00   0.01  -0.13     0.01   0.02   0.05
    25   6     0.01   0.05   0.00    -0.01  -0.03   0.13     0.03  -0.01  -0.04
    26   6    -0.00   0.04   0.02    -0.02   0.06  -0.12    -0.00  -0.04  -0.01
    27   6     0.01   0.01   0.02     0.00   0.01  -0.06    -0.03   0.02  -0.07
    28   6    -0.02   0.00  -0.02     0.02  -0.04   0.05     0.01  -0.02   0.10
    29   6    -0.02  -0.01   0.03    -0.02   0.05  -0.13    -0.04   0.09  -0.15
    30   6    -0.03   0.02   0.03     0.01  -0.02   0.08    -0.00  -0.01   0.04
    31   1    -0.05  -0.20  -0.15     0.16   0.14  -0.30     0.03   0.02   0.05
    32   1    -0.26  -0.15  -0.15    -0.11  -0.01   0.13     0.13   0.00  -0.11
    33   1     0.03  -0.16  -0.09    -0.05  -0.14   0.10    -0.05   0.01   0.23
    34   1     0.12   0.02   0.01     0.08   0.01   0.01     0.03   0.13  -0.30
    35   1     0.07   0.08   0.09     0.06   0.02   0.05    -0.16  -0.15   0.33
    36   1    -0.08   0.16  -0.04    -0.04   0.10  -0.05     0.04  -0.12   0.09
    37   1     0.01  -0.07   0.00    -0.02  -0.00  -0.18     0.05   0.01   0.24
    38   1    -0.02   0.06   0.01    -0.03  -0.10   0.34     0.08  -0.04  -0.01
    39   1     0.04   0.01   0.02     0.05  -0.07   0.13    -0.08   0.03  -0.08
    40   1    -0.02   0.00  -0.08     0.06  -0.16   0.32     0.04  -0.10   0.31
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    42   1    -0.06   0.03   0.02     0.05  -0.11   0.26     0.00   0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --    612.1256               627.9108               641.7888
 Red. masses --      7.2577                 4.2248                 5.0546
 Frc consts  --      1.6022                 0.9814                 1.2267
 IR Inten    --      8.8726                 0.4857                17.7752
 RamAct Fr= 1--      6.5031                 0.8298                 1.2430
  Dep-P Fr= 1--      0.1308                 0.4298                 0.3781
  Dep-U Fr= 1--      0.2313                 0.6012                 0.5488
 Alpha2 Fr= 1--      0.1055                 0.0055                 0.0099
 Beta2  Fr= 1--      0.2507                 0.0831                 0.1137
 AlphaG Fr= 1--     -0.5455                -0.0134                -0.0342
 Gamma2 Fr= 1--      2.8542                -0.2220                -3.8816
 Delta2 Fr= 1--     -0.3966                -0.1542                 0.1473
 Raman1 Fr= 1--      26.012                  3.319                  4.972
 ROA1   Fr= 1--     261.313                -26.246               -367.915
 CID1   Fr= 1--      10.046                 -7.908                -74.000
 Raman2 Fr= 1--       3.009                  0.998                  1.364
 ROA2   Fr= 1--      71.673                 -4.095                -94.336
 CID2   Fr= 1--      23.823                 -4.104                -69.154
 Raman3 Fr= 1--       6.017                  1.995                  2.728
 ROA3   Fr= 1--     261.313                -26.246               -367.915
 CID3   Fr= 1--      43.427                -13.153               -134.851
 RC180  Fr= 1--      -0.537                  0.202                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.00   0.09  -0.05    -0.10  -0.12   0.08     0.05  -0.16   0.04
     2   6    -0.03   0.06  -0.01    -0.00  -0.03   0.00     0.04  -0.17   0.01
     3   6    -0.05  -0.03  -0.02     0.01   0.01  -0.01     0.10   0.03  -0.01
     4   1     0.02  -0.04  -0.01    -0.06  -0.06   0.07    -0.00   0.15  -0.12
     5   6    -0.02  -0.01  -0.05    -0.00   0.01  -0.01     0.04  -0.01   0.14
     6   1    -0.00   0.08  -0.07    -0.08  -0.08   0.08     0.04  -0.14   0.14
     7   6     0.03  -0.06   0.01    -0.01   0.01  -0.01    -0.05   0.15  -0.02
     8   1     0.07  -0.03  -0.03    -0.11  -0.09   0.13    -0.07   0.14  -0.08
     9   6     0.01  -0.00   0.05     0.04   0.03  -0.06    -0.06   0.01  -0.04
    10   6    -0.01   0.07  -0.02    -0.02  -0.07   0.06    -0.02  -0.06   0.03
    11   6     0.02   0.00   0.04     0.04   0.03  -0.04    -0.07  -0.03  -0.09
    12   6     0.08  -0.02  -0.00    -0.10  -0.02   0.10    -0.06   0.08  -0.11
    13   6     0.02   0.03  -0.04    -0.06  -0.04   0.13    -0.06  -0.03   0.07
    14   6    -0.03   0.02   0.03     0.05   0.02  -0.04     0.03   0.03  -0.04
    15   6     0.03  -0.08   0.02     0.06   0.02  -0.18    -0.00   0.12  -0.05
    16   6     0.04  -0.00  -0.02     0.04   0.06  -0.16    -0.04  -0.02   0.16
    17   6    -0.01   0.03  -0.00    -0.01  -0.01   0.09     0.09   0.00   0.01
    18   6    -0.01   0.05   0.02     0.06   0.05  -0.06     0.01  -0.07   0.03
    19   6    -0.09  -0.07  -0.00     0.02   0.00   0.15     0.06   0.10  -0.07
    20   6    -0.02  -0.07  -0.05    -0.02  -0.06   0.19     0.01  -0.01   0.06
    21   6    -0.07   0.01  -0.01    -0.02   0.04  -0.11    -0.00  -0.07   0.04
    22   6     0.02  -0.02  -0.00    -0.05  -0.02   0.10    -0.05  -0.03  -0.06
    23   6    -0.16   0.04  -0.03    -0.02   0.04  -0.12     0.09  -0.01   0.02
    24   6     0.28  -0.16  -0.03    -0.01  -0.00  -0.08     0.03   0.00  -0.04
    25   6     0.24  -0.07  -0.08     0.01  -0.08   0.07     0.05  -0.07   0.02
    26   6     0.09   0.01  -0.06     0.01   0.02  -0.08     0.06   0.01   0.01
    27   6    -0.02   0.21   0.13     0.02   0.03   0.03    -0.02   0.18  -0.01
    28   6    -0.15   0.15   0.05    -0.01   0.03  -0.02    -0.12   0.00   0.11
    29   6    -0.25   0.08   0.14    -0.01  -0.02   0.06    -0.10   0.04  -0.10
    30   6    -0.23   0.00   0.05    -0.00  -0.03  -0.00    -0.01  -0.14   0.02
    31   1    -0.01   0.07  -0.04    -0.02  -0.07   0.06    -0.00  -0.04   0.01
    32   1    -0.04  -0.03   0.10     0.12   0.13  -0.23     0.05   0.11  -0.16
    33   1    -0.03   0.03   0.05    -0.07  -0.10   0.27     0.18   0.14  -0.26
    34   1    -0.03   0.01   0.10     0.10   0.10  -0.17     0.05   0.02  -0.17
    35   1    -0.08  -0.01   0.02     0.03   0.12  -0.30     0.03  -0.01  -0.10
    36   1     0.04  -0.10   0.01    -0.08  -0.10   0.27     0.01   0.07  -0.32
    37   1     0.37  -0.10   0.08     0.03   0.11  -0.34     0.08   0.08  -0.12
    38   1     0.20  -0.07  -0.04    -0.00  -0.06   0.04     0.05  -0.06  -0.03
    39   1    -0.15   0.22   0.19     0.03  -0.03   0.17    -0.01   0.17   0.01
    40   1    -0.11   0.02  -0.06     0.00   0.00  -0.02    -0.07  -0.15   0.24
    41  35     0.04  -0.03  -0.02     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1    -0.20   0.00   0.05     0.04  -0.08   0.10    -0.01  -0.17   0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    651.3480               683.1437               693.2163
 Red. masses --      4.4954                 6.0088                 5.4330
 Frc consts  --      1.1237                 1.6522                 1.5382
 IR Inten    --      2.5437                 5.1313                 0.2156
 RamAct Fr= 1--      0.4529                51.4947                 6.3973
  Dep-P Fr= 1--      0.6287                 0.0636                 0.0867
  Dep-U Fr= 1--      0.7720                 0.1196                 0.1595
 Alpha2 Fr= 1--      0.0010                 0.9846                 0.1157
 Beta2  Fr= 1--      0.0583                 1.0267                 0.1701
 AlphaG Fr= 1--      0.0047                -3.1787                -0.5856
 Gamma2 Fr= 1--     -0.5885                14.8639                -1.8120
 Delta2 Fr= 1--     -0.0602                -0.0137                -1.6131
 Raman1 Fr= 1--       1.812                205.979                 25.589
 ROA1   Fr= 1--     -58.428               1426.494               -225.567
 CID1   Fr= 1--     -32.251                  6.925                 -8.815
 Raman2 Fr= 1--       0.699                 12.321                  2.041
 ROA2   Fr= 1--     -13.643                356.842                -30.582
 CID2   Fr= 1--     -19.509                 28.962                -14.982
 Raman3 Fr= 1--       1.399                 24.642                  4.082
 ROA3   Fr= 1--     -58.428               1426.494               -225.567
 CID3   Fr= 1--     -41.774                 57.889                -55.253
 RC180  Fr= 1--       0.544                 -0.761                 -0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.15  -0.05  -0.09     0.06  -0.21  -0.01    -0.03   0.01   0.01
     2   6     0.11  -0.09  -0.10     0.05  -0.21  -0.05    -0.01   0.02  -0.02
     3   6    -0.00  -0.06   0.06     0.07  -0.02  -0.04    -0.02  -0.01  -0.02
     4   1    -0.18  -0.03   0.04    -0.10   0.13  -0.16    -0.07  -0.04   0.01
     5   6     0.10   0.07   0.03     0.06   0.00   0.14     0.04   0.02   0.02
     6   1     0.17   0.05  -0.06     0.09  -0.10   0.10    -0.00   0.08   0.09
     7   6    -0.11   0.07   0.07    -0.10   0.17  -0.01     0.08  -0.03   0.05
     8   1    -0.13   0.05   0.02    -0.13   0.15  -0.14     0.07  -0.05   0.08
     9   6    -0.05   0.02  -0.03    -0.11   0.03  -0.00     0.03   0.02   0.02
    10   6     0.05   0.02  -0.05    -0.05   0.02   0.03    -0.16   0.11  -0.05
    11   6    -0.08  -0.05  -0.07    -0.06  -0.04  -0.12     0.00  -0.00   0.01
    12   6    -0.14   0.01   0.05    -0.02   0.03  -0.07    -0.01  -0.04   0.02
    13   6     0.03   0.04  -0.11    -0.03   0.01   0.10    -0.02  -0.01  -0.04
    14   6    -0.02  -0.02   0.06    -0.02   0.07   0.01    -0.14   0.04  -0.06
    15   6    -0.07   0.06   0.16     0.01  -0.04  -0.03     0.03  -0.00   0.01
    16   6     0.04   0.07  -0.12     0.05   0.00   0.02     0.04   0.01   0.02
    17   6     0.07  -0.01   0.04     0.08   0.00   0.07     0.18  -0.15  -0.01
    18   6     0.03  -0.04  -0.03     0.08   0.02   0.02     0.09  -0.24  -0.04
    19   6     0.07   0.04   0.12    -0.09  -0.09   0.02    -0.01   0.02  -0.04
    20   6     0.03   0.03  -0.10     0.02  -0.04  -0.07    -0.04  -0.01   0.02
    21   6     0.03  -0.03  -0.04     0.03   0.03   0.03    -0.05   0.25   0.06
    22   6    -0.05  -0.02   0.01     0.10   0.04   0.00     0.07   0.20   0.09
    23   6     0.08  -0.01  -0.03    -0.19   0.03   0.05     0.00   0.01   0.00
    24   6    -0.02  -0.02   0.05     0.08  -0.09  -0.03    -0.09  -0.10  -0.03
    25   6    -0.02  -0.01  -0.07     0.03   0.02  -0.02    -0.10  -0.14  -0.03
    26   6     0.03   0.02  -0.02    -0.09  -0.04  -0.06     0.04  -0.00   0.02
    27   6     0.01   0.05   0.11    -0.04  -0.22  -0.04     0.07   0.06  -0.00
    28   6    -0.07   0.05  -0.05     0.12   0.01  -0.07     0.04  -0.00   0.01
    29   6     0.01  -0.07   0.11     0.03   0.03   0.07    -0.03   0.01  -0.02
    30   6     0.01  -0.06  -0.11    -0.08   0.24   0.08    -0.02  -0.02   0.01
    31   1     0.02  -0.01   0.01     0.02   0.09  -0.08    -0.23   0.05  -0.11
    32   1    -0.12  -0.09   0.21     0.02   0.17  -0.16    -0.15   0.02  -0.02
    33   1    -0.02  -0.11   0.30     0.11   0.02  -0.00     0.17  -0.21   0.04
    34   1    -0.09  -0.13   0.19     0.13   0.06  -0.07     0.13  -0.30   0.06
    35   1     0.02  -0.08   0.19     0.02   0.01   0.09     0.02   0.34  -0.00
    36   1    -0.11  -0.10   0.26     0.10  -0.00   0.04     0.07   0.24   0.03
    37   1    -0.03  -0.08   0.24     0.03  -0.19   0.10    -0.08  -0.07  -0.09
    38   1    -0.02  -0.04   0.03     0.01  -0.02   0.12    -0.21  -0.10  -0.07
    39   1     0.02   0.07   0.07    -0.12  -0.23   0.01     0.08   0.07  -0.02
    40   1    -0.09   0.09  -0.25     0.08   0.14  -0.07     0.07  -0.08   0.00
    41  35    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.03  -0.02  -0.20    -0.08   0.26   0.02    -0.02  -0.02   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    707.6199               716.6099               756.0315
 Red. masses --      3.3499                 5.8104                 1.6197
 Frc consts  --      0.9883                 1.7580                 0.5455
 IR Inten    --      1.8000                 0.9941                12.9382
 RamAct Fr= 1--      1.6905                 4.2182                 5.7858
  Dep-P Fr= 1--      0.7500                 0.6902                 0.7283
  Dep-U Fr= 1--      0.8571                 0.8167                 0.8428
 Alpha2 Fr= 1--      0.0000                 0.0044                 0.0022
 Beta2  Fr= 1--      0.2415                 0.5742                 0.8127
 AlphaG Fr= 1--     -0.0009                -0.0085                -0.0853
 Gamma2 Fr= 1--    -11.2658                -3.3277               -13.5036
 Delta2 Fr= 1--      0.4886                 0.6468                -0.5980
 Raman1 Fr= 1--       6.762                 16.873                 23.143
 ROA1   Fr= 1--   -1065.877               -298.761              -1315.478
 CID1   Fr= 1--    -157.631                -17.707                -56.841
 Raman2 Fr= 1--       2.898                  6.890                  9.753
 ROA2   Fr= 1--    -274.287                -85.038               -319.301
 CID2   Fr= 1--     -94.652                -12.342                -32.740
 Raman3 Fr= 1--       5.796                 13.781                 19.505
 ROA3   Fr= 1--   -1065.877               -298.761              -1315.478
 CID3   Fr= 1--    -183.908                -21.680                -67.443
 RC180  Fr= 1--       0.714                  0.633                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.03   0.11     0.10   0.00  -0.12     0.17   0.20  -0.17
     2   6    -0.06   0.01   0.07     0.07  -0.05   0.01    -0.01   0.01   0.01
     3   6     0.03   0.06  -0.04     0.01   0.03   0.08    -0.04  -0.03   0.05
     4   1     0.11   0.05  -0.04     0.08   0.08   0.02     0.19   0.21  -0.21
     5   6    -0.06  -0.05   0.03    -0.07   0.01  -0.07    -0.02  -0.00   0.00
     6   1    -0.08  -0.04   0.05     0.04  -0.10  -0.23     0.20   0.24  -0.27
     7   6     0.07  -0.00  -0.05    -0.16   0.03  -0.06    -0.02  -0.05   0.05
     8   1     0.11   0.04  -0.08    -0.12   0.07  -0.07     0.16   0.11  -0.13
     9   6    -0.03  -0.04   0.07    -0.02  -0.03  -0.08     0.06   0.03  -0.06
    10   6    -0.03  -0.02   0.03     0.19  -0.11   0.05     0.01   0.00  -0.02
    11   6     0.07   0.06  -0.03    -0.01  -0.05   0.01    -0.02  -0.01   0.03
    12   6     0.10   0.04  -0.11    -0.01   0.05   0.03    -0.03   0.00   0.01
    13   6    -0.05  -0.05   0.10    -0.00   0.08  -0.01    -0.02  -0.02   0.02
    14   6    -0.00  -0.02  -0.01     0.14   0.10   0.11     0.03   0.05  -0.05
    15   6     0.00   0.01  -0.00     0.00   0.01  -0.00     0.03   0.03  -0.07
    16   6    -0.03  -0.01  -0.00     0.03  -0.08   0.02    -0.00   0.01   0.03
    17   6    -0.05  -0.06   0.03    -0.19  -0.04  -0.09     0.03  -0.01   0.03
    18   6     0.01  -0.01  -0.05    -0.11  -0.00  -0.03    -0.01  -0.05   0.02
    19   6     0.02  -0.00   0.15    -0.06   0.04  -0.03     0.02   0.01   0.03
    20   6     0.01   0.05  -0.11    -0.03   0.04   0.00     0.00  -0.01  -0.00
    21   6    -0.00   0.01   0.05     0.07   0.09   0.04    -0.02  -0.01   0.01
    22   6     0.00   0.05  -0.05     0.24   0.06   0.08    -0.03   0.01  -0.02
    23   6     0.05  -0.05   0.08    -0.04  -0.01   0.02     0.01  -0.01   0.06
    24   6    -0.06   0.03  -0.02    -0.13  -0.04  -0.02     0.02   0.00  -0.03
    25   6    -0.04  -0.03  -0.05    -0.10  -0.18  -0.06     0.02   0.00  -0.00
    26   6     0.02   0.03  -0.11     0.06  -0.02  -0.02    -0.02   0.01  -0.05
    27   6     0.04   0.03   0.09     0.11   0.07   0.01    -0.02  -0.03   0.01
    28   6    -0.02   0.04  -0.06     0.09   0.03   0.00    -0.02   0.01  -0.02
    29   6     0.00  -0.04   0.09    -0.08   0.04   0.02     0.02  -0.01   0.02
    30   6    -0.00  -0.03  -0.08    -0.07  -0.01   0.02     0.00   0.03  -0.01
    31   1     0.13   0.12  -0.22     0.10  -0.19   0.22    -0.23  -0.22   0.31
    32   1     0.15   0.12  -0.28     0.03   0.04   0.24    -0.16  -0.12   0.26
    33   1    -0.01  -0.03  -0.10    -0.20   0.08  -0.11     0.10   0.10  -0.20
    34   1     0.11   0.06  -0.23     0.01  -0.02  -0.07     0.08   0.08  -0.25
    35   1    -0.02  -0.04   0.22     0.02   0.06  -0.11     0.00   0.02  -0.00
    36   1    -0.03   0.06   0.05     0.25   0.14   0.00    -0.03  -0.00  -0.03
    37   1    -0.06  -0.09   0.36    -0.10  -0.03   0.04     0.02  -0.03   0.10
    38   1    -0.02  -0.17   0.33    -0.16  -0.19   0.01     0.03  -0.05   0.14
    39   1     0.05   0.01   0.14     0.07   0.08   0.02    -0.03  -0.05   0.06
    40   1    -0.02   0.03  -0.17     0.13  -0.10  -0.06    -0.03   0.04   0.00
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.03   0.03  -0.23    -0.04   0.01  -0.03    -0.04   0.06  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --    760.0697               764.9123               777.3879
 Red. masses --      1.8602                 4.9192                 1.6910
 Frc consts  --      0.6332                 1.6958                 0.6021
 IR Inten    --     11.5087                 5.0612                 6.0833
 RamAct Fr= 1--      4.6764                 1.2280                 1.0187
  Dep-P Fr= 1--      0.5406                 0.5534                 0.3935
  Dep-U Fr= 1--      0.7018                 0.7125                 0.5647
 Alpha2 Fr= 1--      0.0188                 0.0046                 0.0077
 Beta2  Fr= 1--      0.5470                 0.1458                 0.0959
 AlphaG Fr= 1--     -0.3147                -0.0826                -0.0016
 Gamma2 Fr= 1--    -11.6667                -0.6261                -3.5287
 Delta2 Fr= 1--     -1.7648                -0.4037                -0.0472
 Raman1 Fr= 1--      18.705                  4.912                  4.075
 ROA1   Fr= 1--   -1176.477                -73.026               -340.264
 CID1   Fr= 1--     -62.895                -14.867                -83.507
 Raman2 Fr= 1--       6.564                  1.750                  1.151
 ROA2   Fr= 1--    -265.883                -11.798                -84.310
 CID2   Fr= 1--     -40.507                 -6.742                -73.281
 Raman3 Fr= 1--      13.128                  3.500                  2.301
 ROA3   Fr= 1--   -1176.477                -73.026               -340.264
 CID3   Fr= 1--     -89.618                -20.868               -147.876
 RC180  Fr= 1--       0.404                  0.425                  0.129
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.05  -0.10     0.04   0.04  -0.01    -0.04   0.01   0.09
     2   6    -0.03  -0.06   0.02    -0.02   0.00  -0.08    -0.01   0.06   0.00
     3   6    -0.01  -0.02  -0.01    -0.03  -0.10  -0.08     0.01   0.01  -0.01
     4   1     0.17   0.23  -0.28    -0.19  -0.10  -0.06    -0.09  -0.15   0.16
     5   6    -0.02  -0.04   0.06     0.14   0.03   0.07     0.03   0.02  -0.02
     6   1     0.21   0.21  -0.24     0.02   0.07   0.22    -0.13  -0.10   0.19
     7   6    -0.03   0.01   0.02     0.04   0.03   0.07     0.05  -0.01   0.00
     8   1     0.16   0.19  -0.27    -0.08  -0.08   0.10    -0.05  -0.11   0.16
     9   6    -0.03   0.02   0.02     0.00   0.09  -0.01     0.01  -0.02   0.01
    10   6    -0.02   0.04  -0.00    -0.09   0.06  -0.04     0.02  -0.03  -0.02
    11   6     0.05   0.04  -0.06    -0.09  -0.01   0.03    -0.05  -0.01   0.03
    12   6     0.04  -0.01  -0.02    -0.01  -0.05   0.05    -0.02   0.04  -0.04
    13   6     0.00  -0.02   0.04     0.10  -0.01   0.02     0.00  -0.00  -0.02
    14   6    -0.00  -0.02  -0.02    -0.05  -0.13  -0.13     0.00  -0.01  -0.02
    15   6    -0.02  -0.06   0.07    -0.02  -0.07  -0.11    -0.03   0.06   0.00
    16   6     0.02  -0.00  -0.06    -0.05  -0.05   0.01    -0.01   0.01   0.02
    17   6    -0.04  -0.02   0.03    -0.05   0.05  -0.01     0.01  -0.01   0.04
    18   6     0.02   0.05   0.02     0.08   0.19   0.16    -0.03  -0.04   0.03
    19   6    -0.02  -0.02  -0.00    -0.05  -0.03  -0.03     0.01   0.03   0.03
    20   6    -0.01   0.01  -0.00     0.01   0.05   0.03     0.03   0.01  -0.01
    21   6     0.01   0.03  -0.05     0.09  -0.07   0.02     0.08  -0.02  -0.05
    22   6     0.03   0.01  -0.02     0.08  -0.04   0.02    -0.00   0.01  -0.06
    23   6    -0.01   0.01  -0.08    -0.02  -0.08   0.05    -0.03   0.02  -0.01
    24   6    -0.03  -0.01   0.06    -0.13   0.12  -0.01    -0.02  -0.03   0.04
    25   6    -0.02   0.01   0.02    -0.06  -0.04  -0.02    -0.01  -0.07   0.01
    26   6     0.02  -0.00   0.06     0.04  -0.00  -0.05    -0.00  -0.03  -0.02
    27   6     0.03   0.05  -0.02     0.11   0.08   0.04     0.00  -0.02  -0.03
    28   6     0.02  -0.01   0.02     0.09   0.05  -0.01     0.03   0.02  -0.02
    29   6    -0.01   0.01  -0.02    -0.07   0.03   0.04    -0.02   0.01   0.03
    30   6     0.01  -0.05   0.01    -0.05  -0.06  -0.03    -0.04   0.04   0.02
    31   1    -0.04   0.02   0.08    -0.10   0.05   0.12    -0.01  -0.06  -0.00
    32   1    -0.00  -0.04   0.00    -0.14  -0.20   0.02    -0.08  -0.06   0.08
    33   1     0.00  -0.01  -0.09     0.05  -0.05  -0.21     0.12   0.15  -0.31
    34   1     0.10   0.09  -0.11     0.15   0.24   0.05     0.06   0.10  -0.26
    35   1    -0.07  -0.11   0.28     0.06  -0.06  -0.21     0.03  -0.15   0.38
    36   1    -0.04  -0.12   0.34     0.09   0.08  -0.10    -0.11  -0.08   0.36
    37   1    -0.03   0.08  -0.25    -0.12   0.05   0.22    -0.00   0.09  -0.27
    38   1    -0.05   0.12  -0.27     0.01  -0.14   0.26    -0.01   0.03  -0.29
    39   1     0.05   0.05  -0.03     0.07   0.09   0.02    -0.01  -0.08   0.16
    40   1     0.03  -0.05   0.02     0.14  -0.08  -0.10     0.05  -0.05   0.11
    41  35    -0.00  -0.00  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.07  -0.10   0.08    -0.00  -0.03  -0.14    -0.04   0.02   0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --    783.2196               795.4389               815.2457
 Red. masses --      3.0086                 1.6342                 2.0596
 Frc consts  --      1.0874                 0.6092                 0.8065
 IR Inten    --     12.3569                 1.3595                 4.5912
 RamAct Fr= 1--      4.7172                 1.0808                 1.4619
  Dep-P Fr= 1--      0.5922                 0.7425                 0.5807
  Dep-U Fr= 1--      0.7439                 0.8522                 0.7348
 Alpha2 Fr= 1--      0.0139                 0.0001                 0.0046
 Beta2  Fr= 1--      0.5848                 0.1535                 0.1790
 AlphaG Fr= 1--      0.1366                -0.0277                 0.0111
 Gamma2 Fr= 1--     -3.5087                -4.6312                -4.4682
 Delta2 Fr= 1--     -4.0123                -0.1390                -0.5496
 Raman1 Fr= 1--      18.869                  4.323                  5.848
 ROA1   Fr= 1--    -465.225               -449.039               -446.534
 CID1   Fr= 1--     -24.656               -103.869                -76.360
 Raman2 Fr= 1--       7.018                  1.842                  2.148
 ROA2   Fr= 1--     -52.110               -110.036               -102.840
 CID2   Fr= 1--      -7.425                -59.732                -47.870
 Raman3 Fr= 1--      14.036                  3.684                  4.297
 ROA3   Fr= 1--    -465.225               -449.039               -446.534
 CID3   Fr= 1--     -33.145               -121.879               -103.927
 RC180  Fr= 1--       0.488                  0.704                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.13   0.03    -0.02  -0.02   0.01    -0.27  -0.29   0.26
     2   6    -0.07   0.05   0.05    -0.00  -0.01   0.00     0.00  -0.00   0.00
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.05   0.07  -0.06
     4   1     0.20   0.15  -0.17     0.03   0.05  -0.05    -0.19  -0.19   0.22
     5   6    -0.01  -0.03   0.05    -0.01  -0.02   0.02    -0.03  -0.04   0.03
     6   1     0.16   0.25  -0.16     0.07   0.07  -0.08     0.00  -0.02  -0.00
     7   6     0.07  -0.06   0.04    -0.01  -0.00   0.01     0.01   0.00  -0.01
     8   1     0.23   0.09  -0.13     0.06   0.06  -0.09     0.20   0.18  -0.26
     9   6     0.03  -0.01   0.01    -0.01  -0.00   0.01    -0.10  -0.08   0.12
    10   6     0.01  -0.07  -0.01    -0.00   0.01   0.00     0.05   0.05  -0.07
    11   6     0.03   0.09  -0.05     0.03   0.02  -0.03     0.08   0.06  -0.08
    12   6    -0.09   0.05  -0.00    -0.02  -0.02   0.04    -0.04  -0.02   0.07
    13   6    -0.03  -0.03  -0.00     0.01   0.00  -0.02     0.03   0.01  -0.05
    14   6    -0.01  -0.08  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.02
    15   6    -0.07   0.10   0.06    -0.00  -0.00   0.00    -0.00   0.01   0.00
    16   6    -0.01   0.04  -0.03    -0.01  -0.01   0.02     0.01   0.01  -0.04
    17   6     0.06   0.04  -0.00     0.01   0.02  -0.03    -0.01  -0.01   0.02
    18   6     0.00  -0.01  -0.06     0.01   0.01  -0.01    -0.02  -0.01   0.03
    19   6     0.00   0.08  -0.03     0.00   0.01  -0.07     0.01   0.02  -0.05
    20   6     0.05   0.01   0.02    -0.00   0.01   0.01    -0.00  -0.01   0.06
    21   6     0.14  -0.09   0.00    -0.00  -0.00   0.01    -0.00  -0.00  -0.01
    22   6    -0.02  -0.04   0.03     0.01  -0.01   0.01    -0.01  -0.01   0.02
    23   6    -0.06   0.04  -0.02     0.02  -0.03   0.10     0.01   0.00   0.03
    24   6    -0.04   0.01  -0.01    -0.00   0.00   0.02     0.00   0.01  -0.03
    25   6    -0.02  -0.10  -0.06     0.00  -0.03   0.06     0.01  -0.01  -0.01
    26   6     0.01  -0.07   0.01    -0.01   0.02  -0.07    -0.00   0.01  -0.02
    27   6     0.01  -0.04  -0.01    -0.00   0.02  -0.04    -0.01  -0.01   0.01
    28   6     0.06  -0.00   0.03    -0.02   0.05  -0.10    -0.01  -0.01   0.01
    29   6    -0.06   0.05  -0.00     0.01  -0.04   0.07     0.00  -0.00  -0.01
    30   6    -0.07   0.06   0.07    -0.00   0.01  -0.02     0.00   0.01   0.01
    31   1     0.08  -0.00  -0.12     0.03   0.04  -0.03    -0.12  -0.11   0.23
    32   1     0.07   0.02  -0.19     0.04   0.01  -0.06    -0.19  -0.21   0.37
    33   1    -0.06  -0.05   0.35    -0.05  -0.06   0.16     0.04   0.07  -0.14
    34   1    -0.20  -0.10   0.20    -0.08  -0.07   0.19     0.06   0.08  -0.19
    35   1     0.21   0.01  -0.20    -0.00   0.00  -0.04     0.02   0.03  -0.11
    36   1    -0.01   0.14  -0.13     0.03   0.03  -0.10    -0.00  -0.01   0.01
    37   1    -0.02  -0.02   0.12     0.01   0.10  -0.25     0.01  -0.02   0.08
    38   1     0.03  -0.15   0.05     0.01   0.09  -0.27     0.02  -0.06   0.13
    39   1    -0.09   0.03  -0.17     0.08  -0.22   0.58    -0.02   0.02  -0.07
    40   1     0.05   0.03  -0.11     0.07  -0.18   0.41    -0.02   0.03  -0.06
    41  35     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    42   1    -0.08   0.06   0.09    -0.06   0.09  -0.18    -0.03   0.04  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --    829.6371               838.9481               850.2296
 Red. masses --      4.6273                 2.3555                 2.1200
 Frc consts  --      1.8765                 0.9768                 0.9030
 IR Inten    --     17.9484                16.9697                 2.4520
 RamAct Fr= 1--      3.6135                 4.7801                 1.7925
  Dep-P Fr= 1--      0.7456                 0.1445                 0.2934
  Dep-U Fr= 1--      0.8543                 0.2525                 0.4537
 Alpha2 Fr= 1--      0.0003                 0.0749                 0.0187
 Beta2  Fr= 1--      0.5145                 0.2012                 0.1355
 AlphaG Fr= 1--     -0.0055                 0.0134                 0.0265
 Gamma2 Fr= 1--     -9.1116                 3.0051                 1.3810
 Delta2 Fr= 1--    -11.4555                 0.6990                -1.4300
 Raman1 Fr= 1--      14.454                 19.120                  7.170
 ROA1   Fr= 1--   -1241.287                310.857                 86.815
 CID1   Fr= 1--     -85.878                 16.258                 12.108
 Raman2 Fr= 1--       6.174                  2.414                  1.627
 ROA2   Fr= 1--    -127.033                 66.531                 44.584
 CID2   Fr= 1--     -20.575                 27.559                 27.410
 Raman3 Fr= 1--      12.348                  4.828                  3.253
 ROA3   Fr= 1--   -1241.287                310.857                 86.815
 CID3   Fr= 1--    -100.525                 64.382                 26.687
 RC180  Fr= 1--       0.709                 -0.495                 -0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.04  -0.17  -0.07     0.05   0.06  -0.05    -0.09  -0.09   0.10
     2   6     0.08  -0.06   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.01
     3   6     0.02   0.09   0.08    -0.02  -0.03   0.01     0.01   0.00  -0.03
     4   1     0.04   0.05   0.12     0.08   0.10  -0.13    -0.09  -0.08   0.06
     5   6    -0.12  -0.01  -0.08     0.01  -0.00   0.01     0.01  -0.01   0.02
     6   1    -0.04  -0.09  -0.18     0.05   0.07  -0.05     0.05   0.05  -0.03
     7   6    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.02
     8   1     0.03   0.03  -0.03    -0.04  -0.03   0.03     0.09   0.09  -0.13
     9   6     0.02  -0.03   0.01     0.01   0.02  -0.02    -0.01   0.00   0.00
    10   6    -0.03   0.10   0.05    -0.02  -0.03   0.03     0.01   0.00  -0.02
    11   6     0.08  -0.07  -0.00     0.01   0.02  -0.02     0.00   0.01  -0.01
    12   6     0.00  -0.09   0.01    -0.03  -0.01   0.05    -0.02  -0.02   0.04
    13   6    -0.02  -0.01  -0.06     0.05   0.04  -0.08     0.00  -0.00   0.03
    14   6    -0.01   0.12   0.07    -0.03  -0.05   0.05     0.01  -0.00  -0.03
    15   6     0.02  -0.06  -0.08    -0.01   0.01   0.02     0.05   0.01  -0.10
    16   6    -0.04   0.04   0.08     0.00  -0.02   0.03    -0.04  -0.05   0.12
    17   6     0.16   0.07   0.04    -0.03  -0.01  -0.01    -0.01   0.01  -0.09
    18   6     0.00  -0.05  -0.03    -0.02  -0.00   0.03     0.02   0.03  -0.02
    19   6    -0.02  -0.08  -0.06     0.01   0.04  -0.10     0.02  -0.00   0.10
    20   6     0.05  -0.01   0.05    -0.02  -0.03   0.13    -0.01   0.04  -0.10
    21   6     0.08  -0.05  -0.06    -0.01   0.04  -0.07    -0.01   0.01   0.02
    22   6    -0.13   0.01  -0.09     0.04   0.01  -0.03     0.02   0.01  -0.04
    23   6    -0.06  -0.10   0.02     0.04  -0.01   0.10     0.01   0.03  -0.01
    24   6    -0.08   0.12   0.02     0.02  -0.01  -0.05    -0.00  -0.02   0.07
    25   6    -0.03   0.07   0.04     0.02  -0.04   0.02     0.01  -0.05   0.04
    26   6    -0.01  -0.01  -0.06    -0.02   0.06  -0.13    -0.01   0.02  -0.08
    27   6     0.09   0.01   0.03    -0.01  -0.03   0.07    -0.00  -0.03   0.05
    28   6     0.15   0.05   0.02    -0.04  -0.03   0.03    -0.01  -0.03   0.05
    29   6    -0.11   0.08   0.04     0.03  -0.02  -0.04     0.00   0.00  -0.02
    30   6    -0.07  -0.08  -0.02     0.02   0.03   0.02     0.00   0.03  -0.00
    31   1    -0.08   0.07  -0.03     0.19   0.16  -0.25    -0.08  -0.08   0.14
    32   1     0.13   0.11   0.04     0.14   0.11  -0.26    -0.06  -0.05   0.07
    33   1     0.13   0.07   0.14     0.03   0.06  -0.19    -0.12  -0.15   0.25
    34   1    -0.22  -0.09   0.15     0.02  -0.01   0.02    -0.08  -0.12   0.31
    35   1     0.10  -0.11   0.34    -0.09  -0.10   0.26    -0.05  -0.06   0.19
    36   1    -0.21  -0.05   0.22    -0.04  -0.15   0.35     0.03   0.03  -0.09
    37   1    -0.15   0.08  -0.06     0.05   0.04  -0.10     0.04   0.16  -0.36
    38   1     0.06   0.02   0.13     0.01  -0.08   0.13     0.01   0.07  -0.33
    39   1    -0.03   0.09  -0.12    -0.03   0.09  -0.27    -0.04   0.09  -0.25
    40   1     0.17  -0.01  -0.23    -0.12   0.17  -0.32    -0.08   0.16  -0.34
    41  35     0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.04  -0.07  -0.11    -0.09   0.14  -0.17    -0.01  -0.01   0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    855.3348               856.4748               865.9647
 Red. masses --      4.6408                 3.1863                 1.7331
 Frc consts  --      2.0004                 1.3771                 0.7657
 IR Inten    --      3.3355                 7.1146                91.6861
 RamAct Fr= 1--     13.3364                 6.1524                 1.1586
  Dep-P Fr= 1--      0.0816                 0.1319                 0.4932
  Dep-U Fr= 1--      0.1509                 0.2330                 0.6606
 Alpha2 Fr= 1--      0.2442                 0.0996                 0.0059
 Beta2  Fr= 1--      0.3353                 0.2389                 0.1276
 AlphaG Fr= 1--      0.0406                 0.0604                -0.0437
 Gamma2 Fr= 1--     -4.5392                 1.4004                -0.8746
 Delta2 Fr= 1--     -3.1617                 0.3403                -1.3313
 Raman1 Fr= 1--      53.346                 24.609                  4.635
 ROA1   Fr= 1--    -536.938                145.330               -126.566
 CID1   Fr= 1--     -10.065                  5.905                -27.309
 Raman2 Fr= 1--       4.024                  2.867                  1.531
 ROA2   Fr= 1--     -83.647                 30.887                -10.340
 CID2   Fr= 1--     -20.788                 10.774                 -6.755
 Raman3 Fr= 1--       8.048                  5.734                  3.062
 ROA3   Fr= 1--    -536.938                145.330               -126.566
 CID3   Fr= 1--     -66.719                 25.346                -41.339
 RC180  Fr= 1--      -0.698                 -0.534                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.03   0.15   0.24     0.07   0.12  -0.02    -0.03  -0.01   0.05
     2   6    -0.08   0.12   0.04    -0.02   0.03   0.01    -0.01   0.02  -0.01
     3   6     0.02  -0.02  -0.04     0.00  -0.02  -0.01     0.01  -0.01  -0.02
     4   1     0.04  -0.08   0.02    -0.02  -0.06   0.03    -0.06  -0.07   0.05
     5   6     0.07  -0.02   0.08     0.04   0.02  -0.01     0.02  -0.00   0.01
     6   1     0.11   0.13   0.03    -0.11  -0.11   0.18     0.01  -0.00   0.03
     7   6     0.05  -0.01   0.04     0.02   0.02  -0.01    -0.01   0.00   0.01
     8   1     0.12   0.05  -0.04    -0.08  -0.07   0.10     0.03   0.04  -0.06
     9   6    -0.00  -0.05  -0.02    -0.01  -0.01   0.01    -0.01   0.00  -0.00
    10   6     0.10  -0.19  -0.05     0.04  -0.02  -0.04     0.02  -0.01  -0.02
    11   6    -0.07   0.12  -0.07    -0.06  -0.02   0.04    -0.02  -0.00   0.01
    12   6    -0.16   0.04   0.00     0.08   0.06  -0.13     0.02   0.01  -0.02
    13   6    -0.00   0.07  -0.05    -0.09  -0.06   0.14    -0.03  -0.02   0.07
    14   6    -0.01   0.04   0.06     0.05   0.04  -0.07     0.02   0.01  -0.03
    15   6    -0.05  -0.01  -0.09    -0.06  -0.02   0.15     0.01  -0.00  -0.00
    16   6     0.05  -0.01   0.07     0.03   0.03  -0.09    -0.02  -0.03   0.08
    17   6     0.08   0.04   0.03     0.02   0.01   0.01     0.01   0.02  -0.06
    18   6    -0.03  -0.04  -0.01     0.02   0.01  -0.08     0.02   0.03  -0.05
    19   6    -0.08  -0.11   0.02    -0.03  -0.00  -0.13    -0.00   0.00  -0.01
    20   6    -0.02  -0.04  -0.03     0.00  -0.02   0.05    -0.01  -0.02   0.09
    21   6    -0.07   0.04   0.01     0.01   0.00  -0.02     0.01   0.03  -0.07
    22   6     0.12   0.00  -0.00    -0.00  -0.01   0.04     0.02   0.03  -0.06
    23   6    -0.05  -0.11  -0.02     0.00  -0.07   0.09     0.00   0.02  -0.01
    24   6     0.04  -0.05  -0.02     0.01  -0.01   0.00     0.00   0.01  -0.06
    25   6    -0.02   0.20   0.07    -0.00   0.03   0.08     0.00   0.00  -0.07
    26   6    -0.02   0.04   0.02    -0.02   0.05  -0.12     0.01  -0.02   0.07
    27   6     0.04   0.03   0.01     0.03  -0.01   0.06    -0.01   0.02  -0.03
    28   6     0.07   0.04   0.00     0.03   0.00   0.03    -0.03   0.00  -0.03
    29   6    -0.01   0.02   0.02    -0.01   0.02  -0.01     0.02  -0.02  -0.00
    30   6     0.02  -0.13  -0.08     0.00  -0.03  -0.01     0.01   0.02   0.01
    31   1     0.08  -0.21  -0.24    -0.18  -0.22   0.27    -0.09  -0.12   0.15
    32   1    -0.16   0.19  -0.10    -0.19  -0.12   0.26    -0.08  -0.04   0.08
    33   1     0.08   0.18  -0.01    -0.09  -0.07   0.31    -0.11  -0.12   0.27
    34   1    -0.10  -0.03   0.02    -0.06  -0.04   0.05    -0.11  -0.14   0.32
    35   1    -0.14  -0.04   0.02     0.01   0.01  -0.06    -0.07  -0.13   0.38
    36   1     0.15  -0.16   0.05     0.02   0.01  -0.05    -0.07  -0.13   0.36
    37   1    -0.09  -0.19  -0.06    -0.03   0.04  -0.28     0.02  -0.08   0.30
    38   1    -0.15   0.22   0.11    -0.03   0.11  -0.12     0.01  -0.14   0.33
    39   1     0.05   0.04   0.01    -0.01   0.08  -0.18     0.03  -0.05   0.12
    40   1     0.10  -0.02  -0.02    -0.01   0.11  -0.29     0.01  -0.09   0.23
    41  35    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    42   1     0.22  -0.19  -0.05    -0.02   0.07  -0.24    -0.01   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    888.0190               928.7696               935.3448
 Red. masses --      1.8112                 2.7486                 1.9265
 Frc consts  --      0.8415                 1.3969                 0.9931
 IR Inten    --      3.8498                 7.0574                 7.6546
 RamAct Fr= 1--      0.3804                52.1174                18.5681
  Dep-P Fr= 1--      0.7257                 0.0826                 0.1187
  Dep-U Fr= 1--      0.8410                 0.1526                 0.2122
 Alpha2 Fr= 1--      0.0002                 0.9520                 0.3105
 Beta2  Fr= 1--      0.0533                 1.3255                 0.6566
 AlphaG Fr= 1--     -0.0200                 3.5445                 1.8186
 Gamma2 Fr= 1--      0.8936               -14.8334                -4.4680
 Delta2 Fr= 1--      0.1581                -4.1334                 3.4169
 Raman1 Fr= 1--       1.522                208.470                 74.272
 ROA1   Fr= 1--      90.848              -1556.279               -319.586
 CID1   Fr= 1--      59.701                 -7.465                 -4.303
 Raman2 Fr= 1--       0.640                 15.906                  7.879
 ROA2   Fr= 1--      20.182               -322.935               -134.567
 CID2   Fr= 1--      31.540                -20.302                -17.078
 Raman3 Fr= 1--       1.280                 31.813                 15.759
 ROA3   Fr= 1--      90.848              -1556.279               -319.586
 CID3   Fr= 1--      70.986                -48.920                -20.280
 RC180  Fr= 1--       0.682                 -0.695                 -0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.23   0.23  -0.24     0.00  -0.05  -0.03    -0.01   0.03   0.03
     2   6    -0.04  -0.06   0.05     0.04  -0.02   0.01    -0.03   0.02  -0.01
     3   6    -0.04  -0.04   0.04     0.01   0.07   0.07    -0.01  -0.05  -0.04
     4   1     0.26   0.28  -0.31     0.05   0.05   0.09     0.00  -0.00  -0.10
     5   6     0.01   0.03  -0.03    -0.05   0.00  -0.04     0.04  -0.01   0.03
     6   1    -0.17  -0.15   0.20    -0.04  -0.02  -0.06     0.04   0.02   0.02
     7   6     0.07   0.06  -0.08     0.06  -0.06  -0.01    -0.04   0.05  -0.00
     8   1    -0.30  -0.30   0.40     0.08  -0.05   0.08    -0.09   0.00  -0.01
     9   6    -0.07  -0.06   0.09     0.02  -0.02   0.01    -0.02   0.01  -0.01
    10   6     0.03   0.02  -0.04    -0.02   0.05   0.01     0.02  -0.03  -0.01
    11   6     0.07   0.07  -0.07    -0.03  -0.02  -0.03     0.03   0.02   0.02
    12   6    -0.04  -0.01   0.05    -0.08  -0.00  -0.08     0.06  -0.00   0.04
    13   6     0.01   0.00  -0.01    -0.01  -0.03   0.01     0.01   0.02  -0.00
    14   6     0.01   0.00  -0.02     0.00   0.02   0.00    -0.00  -0.00   0.00
    15   6     0.01  -0.00  -0.04    -0.12  -0.03  -0.03     0.07   0.00   0.03
    16   6    -0.01  -0.01   0.03    -0.02  -0.00  -0.01     0.02   0.01  -0.00
    17   6     0.01   0.01  -0.02     0.06   0.04   0.05    -0.03  -0.02  -0.03
    18   6    -0.00  -0.00  -0.00     0.04   0.06   0.01    -0.03  -0.04  -0.01
    19   6     0.00  -0.00   0.02    -0.09  -0.03  -0.03     0.05   0.01  -0.04
    20   6    -0.00   0.00  -0.01    -0.02   0.02   0.00     0.01  -0.02   0.02
    21   6    -0.00   0.00  -0.00     0.03  -0.02   0.01    -0.02   0.02  -0.02
    22   6     0.01   0.00  -0.01     0.10  -0.01   0.01    -0.07   0.00   0.01
    23   6    -0.00   0.01  -0.01     0.00  -0.02   0.05     0.03  -0.02   0.05
    24   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.03   0.00
    25   6     0.00  -0.00  -0.01     0.00  -0.05  -0.01    -0.00   0.01   0.01
    26   6     0.00  -0.00   0.01     0.02   0.03  -0.02    -0.01  -0.01  -0.02
    27   6    -0.00   0.00  -0.00     0.02   0.05   0.06     0.00  -0.05   0.03
    28   6    -0.00  -0.00   0.00    -0.09  -0.04  -0.03     0.03   0.02  -0.04
    29   6     0.00  -0.00  -0.00     0.09  -0.07  -0.00    -0.05   0.02   0.07
    30   6     0.00  -0.00   0.01     0.02   0.11  -0.10    -0.06   0.05  -0.12
    31   1    -0.05  -0.05   0.09    -0.08  -0.00   0.03     0.04  -0.01  -0.02
    32   1    -0.11  -0.11   0.21     0.04  -0.01   0.03    -0.04   0.01  -0.01
    33   1    -0.02  -0.02   0.09     0.11   0.02  -0.06    -0.07  -0.01   0.05
    34   1    -0.02  -0.01   0.03    -0.12   0.05   0.12     0.08  -0.02  -0.11
    35   1    -0.01  -0.02   0.04    -0.05  -0.09  -0.13     0.02   0.03   0.15
    36   1     0.00  -0.01   0.01     0.09  -0.01   0.08    -0.04   0.02  -0.13
    37   1     0.00   0.01   0.01     0.05   0.05   0.02    -0.03   0.02  -0.00
    38   1     0.01  -0.01   0.01    -0.03  -0.03  -0.07     0.05  -0.01   0.02
    39   1     0.00  -0.00   0.01     0.10   0.13  -0.21    -0.09   0.07  -0.25
    40   1    -0.00  -0.00   0.01    -0.07  -0.10   0.14     0.08  -0.12   0.19
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.01   0.01  -0.02     0.19  -0.27   0.69     0.18  -0.36   0.72
                     55                     56                     57
                      A                      A                      A
 Frequencies --    938.8060               950.7624               952.9544
 Red. masses --      4.1303                 1.3158                 1.3181
 Frc consts  --      2.1448                 0.7008                 0.7052
 IR Inten    --      9.0743                 1.3880                 1.3299
 RamAct Fr= 1--      5.7676                15.9810                 7.5338
  Dep-P Fr= 1--      0.6784                 0.2667                 0.5365
  Dep-U Fr= 1--      0.8084                 0.4211                 0.6983
 Alpha2 Fr= 1--      0.0073                 0.1807                 0.0310
 Beta2  Fr= 1--      0.7771                 1.1215                 0.8768
 AlphaG Fr= 1--      0.0073                -1.8471                -0.3575
 Gamma2 Fr= 1--     -2.3851               -27.5584                -1.2157
 Delta2 Fr= 1--      1.4214                -7.6312                -0.0796
 Raman1 Fr= 1--      23.070                 63.924                 30.135
 ROA1   Fr= 1--    -183.488              -2889.805               -119.259
 CID1   Fr= 1--      -7.953                -45.207                 -3.957
 Raman2 Fr= 1--       9.325                 13.458                 10.522
 ROA2   Fr= 1--     -68.614               -600.352                -28.541
 CID2   Fr= 1--      -7.358                -44.609                 -2.712
 Raman3 Fr= 1--      18.650                 26.916                 21.044
 ROA3   Fr= 1--    -183.488              -2889.805               -119.259
 CID3   Fr= 1--      -9.838               -107.364                 -5.667
 RC180  Fr= 1--       0.617                 -0.158                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.19  -0.11    -0.01  -0.03   0.01     0.08   0.08  -0.09
     2   6     0.08  -0.09  -0.03     0.01  -0.00  -0.00    -0.01  -0.02   0.02
     3   6    -0.01   0.05   0.04     0.00   0.01   0.01    -0.01  -0.01  -0.00
     4   1    -0.05   0.07   0.03    -0.02  -0.01   0.03     0.03   0.04  -0.05
     5   6    -0.08   0.01  -0.05    -0.02  -0.01   0.00     0.04   0.04  -0.05
     6   1    -0.06   0.06  -0.07     0.05   0.06  -0.07    -0.24  -0.24   0.30
     7   6     0.06  -0.06  -0.01     0.02  -0.01  -0.01    -0.03  -0.03   0.04
     8   1     0.07  -0.06   0.07    -0.01  -0.04   0.05     0.19   0.18  -0.24
     9   6     0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.00   0.01
    10   6    -0.06   0.11   0.05    -0.01  -0.00   0.02     0.02   0.03  -0.04
    11   6     0.02  -0.04   0.02    -0.01  -0.00  -0.00     0.02   0.01  -0.00
    12   6    -0.04   0.12   0.03    -0.01   0.01  -0.01    -0.00   0.00   0.01
    13   6     0.01  -0.02   0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.03  -0.16  -0.09     0.01   0.00  -0.02    -0.02  -0.04   0.04
    15   6    -0.03   0.19   0.00    -0.01   0.00  -0.00     0.00   0.01  -0.00
    16   6    -0.01  -0.03   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.05  -0.02  -0.07     0.01   0.02  -0.02    -0.02  -0.02   0.03
    18   6    -0.00  -0.00   0.01    -0.01  -0.01   0.04     0.01   0.01  -0.04
    19   6    -0.03   0.13   0.03    -0.01  -0.01   0.01     0.01   0.02   0.01
    20   6    -0.02  -0.03   0.02    -0.00   0.00  -0.01     0.00   0.00  -0.01
    21   6    -0.00   0.00   0.00     0.01   0.01  -0.03    -0.01  -0.01   0.03
    22   6     0.08   0.01  -0.02     0.01  -0.02   0.04     0.00   0.01  -0.02
    23   6    -0.01  -0.05   0.02    -0.01   0.00  -0.02    -0.00   0.00  -0.01
    24   6     0.09  -0.15  -0.07     0.00  -0.03   0.05     0.00  -0.02   0.01
    25   6    -0.02   0.12   0.06     0.00   0.02  -0.05    -0.00   0.01  -0.00
    26   6    -0.04   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    27   6    -0.02  -0.07  -0.02     0.01  -0.02   0.06     0.00  -0.03   0.04
    28   6     0.09   0.05   0.01    -0.02   0.03  -0.07     0.00   0.03  -0.05
    29   6    -0.04   0.05   0.04     0.01  -0.01  -0.01    -0.01   0.01   0.00
    30   6    -0.02  -0.11  -0.09     0.01  -0.02   0.04    -0.00  -0.02   0.01
    31   1     0.13   0.27   0.13     0.07   0.08  -0.11    -0.16  -0.14   0.27
    32   1     0.12  -0.30   0.08    -0.05  -0.06   0.10     0.16   0.12  -0.27
    33   1    -0.13  -0.08   0.14    -0.05  -0.07   0.18     0.07   0.09  -0.23
    34   1     0.06   0.00  -0.03     0.07   0.09  -0.19    -0.08  -0.10   0.21
    35   1    -0.03  -0.02  -0.02    -0.04  -0.09   0.22     0.03   0.06  -0.15
    36   1     0.04  -0.04   0.16     0.07   0.08  -0.24    -0.03  -0.04   0.12
    37   1    -0.04  -0.33   0.04     0.01   0.11  -0.36    -0.00   0.01  -0.11
    38   1    -0.26   0.20  -0.00     0.00  -0.11   0.34    -0.01  -0.01   0.06
    39   1    -0.11  -0.06  -0.01    -0.05   0.15  -0.38    -0.06   0.10  -0.28
    40   1     0.08   0.08   0.02     0.06  -0.17   0.41     0.06  -0.11   0.29
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.22   0.07    -0.05   0.10  -0.21    -0.02   0.03  -0.09
                     58                     59                     60
                      A                      A                      A
 Frequencies --    956.7392               961.3895               966.7778
 Red. masses --      1.3342                 1.3445                 1.3261
 Frc consts  --      0.7196                 0.7322                 0.7303
 IR Inten    --      0.1877                 1.8985                 0.8722
 RamAct Fr= 1--      2.1064                 1.7086                 2.0763
  Dep-P Fr= 1--      0.5475                 0.6376                 0.4800
  Dep-U Fr= 1--      0.7076                 0.7787                 0.6486
 Alpha2 Fr= 1--      0.0082                 0.0035                 0.0112
 Beta2  Fr= 1--      0.2484                 0.2218                 0.2245
 AlphaG Fr= 1--      0.1029                 0.0291                 0.0047
 Gamma2 Fr= 1--      4.6441                 6.2250               -11.8681
 Delta2 Fr= 1--     -1.4593                 3.3119                 2.2922
 Raman1 Fr= 1--       8.426                  6.835                  8.305
 ROA1   Fr= 1--     399.137                703.583              -1065.985
 CID1   Fr= 1--      47.372                102.945               -128.349
 Raman2 Fr= 1--       2.981                  2.661                  2.694
 ROA2   Fr= 1--     123.133                122.905               -303.171
 CID2   Fr= 1--      41.306                 46.185               -112.556
 Raman3 Fr= 1--       5.962                  5.322                  5.387
 ROA3   Fr= 1--     399.137                703.583              -1065.985
 CID3   Fr= 1--      66.947                132.196               -197.881
 RC180  Fr= 1--       0.415                  0.557                  0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.07   0.07  -0.08    -0.04  -0.05   0.03    -0.02  -0.02   0.02
     2   6    -0.01  -0.02   0.02     0.01   0.00  -0.01     0.01   0.01  -0.01
     3   6    -0.00   0.00   0.01     0.00   0.01   0.00     0.01   0.01   0.00
     4   1     0.04   0.04  -0.03    -0.02  -0.01   0.02    -0.03  -0.04   0.05
     5   6     0.03   0.04  -0.05    -0.02  -0.02   0.02    -0.02  -0.02   0.02
     6   1    -0.24  -0.24   0.28     0.11   0.12  -0.14     0.11   0.11  -0.14
     7   6    -0.02  -0.04   0.04     0.02   0.01  -0.03     0.02   0.01  -0.02
     8   1     0.22   0.19  -0.24    -0.11  -0.12   0.15    -0.10  -0.11   0.14
     9   6     0.00   0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    10   6     0.00   0.01  -0.01     0.02   0.03  -0.03     0.03   0.03  -0.05
    11   6     0.01   0.01  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    12   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.01
    13   6     0.00   0.00  -0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    14   6    -0.01  -0.01   0.02    -0.01  -0.03   0.02    -0.02  -0.02   0.05
    15   6    -0.01   0.00  -0.00    -0.00   0.02   0.00    -0.00   0.00  -0.00
    16   6    -0.00  -0.00  -0.00     0.01   0.01  -0.02    -0.00   0.00  -0.01
    17   6     0.02   0.02  -0.03    -0.03  -0.03   0.05     0.00   0.00  -0.00
    18   6    -0.01  -0.02   0.05     0.02   0.03  -0.05    -0.00  -0.00   0.02
    19   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01  -0.00   0.02
    20   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    21   6     0.01   0.02  -0.06     0.00   0.02  -0.04     0.01   0.02  -0.05
    22   6     0.01  -0.02   0.05    -0.00  -0.02   0.05    -0.00  -0.02   0.04
    23   6    -0.00  -0.01   0.01     0.00  -0.01   0.01    -0.00   0.01  -0.02
    24   6     0.00  -0.00   0.00     0.01  -0.03   0.04     0.00   0.02  -0.07
    25   6    -0.00   0.00  -0.02    -0.00   0.03  -0.05    -0.00  -0.02   0.07
    26   6     0.00   0.00   0.01    -0.00  -0.00   0.01     0.00   0.00  -0.01
    27   6    -0.00   0.02  -0.04    -0.01   0.00  -0.04     0.00  -0.01   0.03
    28   6    -0.00  -0.02   0.04     0.01  -0.01   0.03    -0.00   0.01  -0.02
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.01     0.00   0.00  -0.01
    30   6     0.00   0.01  -0.02    -0.01  -0.00  -0.02     0.00  -0.01   0.02
    31   1    -0.04  -0.03   0.06    -0.12  -0.10   0.22    -0.19  -0.17   0.28
    32   1     0.08   0.05  -0.11     0.10   0.06  -0.16     0.16   0.14  -0.28
    33   1    -0.07  -0.09   0.24     0.11   0.12  -0.35    -0.01  -0.02   0.03
    34   1     0.11   0.13  -0.28    -0.12  -0.13   0.31     0.04   0.04  -0.08
    35   1    -0.06  -0.13   0.34    -0.04  -0.07   0.22    -0.04  -0.10   0.29
    36   1     0.09   0.11  -0.31     0.07   0.09  -0.29     0.06   0.09  -0.25
    37   1     0.01   0.01  -0.02     0.00   0.07  -0.31    -0.00  -0.13   0.40
    38   1    -0.01  -0.03   0.09    -0.00  -0.11   0.35    -0.03   0.14  -0.39
    39   1     0.05  -0.09   0.25     0.02  -0.09   0.20    -0.03   0.07  -0.17
    40   1    -0.05   0.10  -0.24    -0.02   0.08  -0.17     0.03  -0.06   0.15
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.04   0.10     0.03  -0.05   0.07    -0.03   0.05  -0.12
                     61                     62                     63
                      A                      A                      A
 Frequencies --    969.1075               992.4140              1016.1116
 Red. masses --      1.3416                 1.3112                 5.2684
 Frc consts  --      0.7424                 0.7609                 3.2049
 IR Inten    --      0.0444                 0.7215                 6.8018
 RamAct Fr= 1--      1.1185                 2.2070                17.0396
  Dep-P Fr= 1--      0.6481                 0.4449                 0.6251
  Dep-U Fr= 1--      0.7864                 0.6159                 0.7693
 Alpha2 Fr= 1--      0.0020                 0.0138                 0.0388
 Beta2  Fr= 1--      0.1466                 0.2265                 2.1849
 AlphaG Fr= 1--     -0.0237                -0.3647                 0.0687
 Gamma2 Fr= 1--     -0.0496                -5.7399               -27.7537
 Delta2 Fr= 1--      0.7495                 0.9594                 0.8380
 Raman1 Fr= 1--       4.474                  8.828                 68.158
 ROA1   Fr= 1--      19.221               -520.333              -2637.541
 CID1   Fr= 1--       4.296                -58.940                -38.697
 Raman2 Fr= 1--       1.759                  2.718                 26.218
 ROA2   Fr= 1--      -7.187               -145.434               -672.793
 CID2   Fr= 1--      -4.086                -53.499                -25.661
 Raman3 Fr= 1--       3.518                  5.437                 52.437
 ROA3   Fr= 1--      19.221               -520.333              -2637.541
 CID3   Fr= 1--       5.463                -95.704                -50.299
 RC180  Fr= 1--       0.573                  0.232                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02  -0.02   0.02     0.44   0.44  -0.42     0.07   0.12  -0.05
     2   6     0.00   0.01  -0.01    -0.05  -0.08   0.07    -0.02   0.01   0.03
     3   6     0.00   0.00  -0.01     0.05   0.05  -0.08     0.03   0.13   0.12
     4   1    -0.03  -0.04   0.03    -0.32  -0.37   0.37     0.03   0.07   0.18
     5   6    -0.01  -0.02   0.02    -0.03  -0.00   0.01     0.01  -0.01  -0.02
     6   1     0.10   0.10  -0.11     0.06   0.11  -0.10     0.02  -0.09  -0.02
     7   6     0.01   0.02  -0.02    -0.01   0.00   0.01     0.09  -0.10  -0.00
     8   1    -0.10  -0.09   0.12     0.01   0.01   0.03     0.11  -0.10   0.01
     9   6    -0.00  -0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.00
    10   6     0.03   0.03  -0.05    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.01  -0.01   0.01     0.02   0.01  -0.00    -0.13   0.00  -0.14
    12   6     0.01   0.01  -0.01    -0.00   0.00   0.02    -0.14  -0.10  -0.15
    13   6     0.00   0.01  -0.01     0.00   0.00  -0.00    -0.01  -0.04  -0.01
    14   6    -0.03  -0.03   0.05     0.00  -0.01  -0.00     0.00   0.07   0.03
    15   6    -0.00  -0.01   0.01     0.00  -0.00  -0.00     0.01  -0.05   0.07
    16   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.01  -0.02  -0.00
    17   6     0.02   0.03  -0.05     0.00   0.00   0.00    -0.07  -0.04  -0.05
    18   6    -0.02  -0.03   0.06    -0.00  -0.01  -0.01     0.09   0.12   0.10
    19   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.23   0.01  -0.02
    20   6     0.00   0.00  -0.01     0.00   0.00  -0.00     0.03  -0.03   0.01
    21   6    -0.01  -0.02   0.05     0.00  -0.00   0.00    -0.15   0.07   0.01
    22   6     0.01   0.02  -0.05    -0.00  -0.00   0.00     0.06  -0.01  -0.00
    23   6    -0.00  -0.01   0.01     0.00  -0.00   0.01     0.15   0.08  -0.00
    24   6    -0.00  -0.01   0.04    -0.00   0.00   0.00    -0.03   0.05   0.01
    25   6     0.00   0.01  -0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.02   0.00
    27   6     0.00   0.01  -0.01    -0.00  -0.00  -0.00    -0.05  -0.13  -0.04
    28   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00     0.07   0.04   0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.15   0.09   0.07
    30   6     0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.07  -0.02   0.00
    31   1    -0.19  -0.18   0.29     0.02   0.02  -0.02    -0.10  -0.08  -0.11
    32   1     0.18   0.16  -0.31     0.01  -0.01   0.00    -0.02   0.08   0.04
    33   1    -0.11  -0.11   0.32     0.00   0.02  -0.01    -0.02  -0.35  -0.06
    34   1     0.14   0.13  -0.32    -0.01  -0.01   0.01     0.25   0.08   0.11
    35   1     0.04   0.09  -0.29     0.00   0.00   0.00    -0.21   0.03  -0.06
    36   1    -0.07  -0.09   0.30    -0.00   0.00  -0.00     0.11  -0.29   0.01
    37   1     0.00   0.07  -0.23     0.00   0.00  -0.01    -0.02   0.07   0.02
    38   1     0.01  -0.07   0.21     0.00  -0.00   0.01     0.16  -0.04  -0.01
    39   1     0.02  -0.03   0.08     0.00  -0.00   0.01    -0.21  -0.10  -0.02
    40   1    -0.01   0.03  -0.06    -0.00   0.01  -0.01     0.08   0.01   0.02
    41  35    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    42   1     0.02  -0.02   0.05     0.01  -0.01   0.03    -0.18  -0.01   0.05
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1063.0745              1074.6903              1105.5123
 Red. masses --      2.4499                 2.9125                 2.3834
 Frc consts  --      1.6313                 1.9819                 1.7162
 IR Inten    --      3.3335                 0.5562                15.2292
 RamAct Fr= 1--     23.3197                55.1103                76.9923
  Dep-P Fr= 1--      0.2113                 0.1005                 0.1731
  Dep-U Fr= 1--      0.3489                 0.1826                 0.2950
 Alpha2 Fr= 1--      0.3073                 0.9638                 1.1220
 Beta2  Fr= 1--      1.3562                 1.6769                 3.7860
 AlphaG Fr= 1--     -2.4620                 5.5466                -1.8951
 Gamma2 Fr= 1--     -4.9711               -22.3140               -18.8001
 Delta2 Fr= 1--     -0.4610                 3.9572                 1.2133
 Raman1 Fr= 1--      93.279                220.441                307.969
 ROA1   Fr= 1--    -491.977              -2015.516              -1765.985
 CID1   Fr= 1--      -5.274                 -9.143                 -5.734
 Raman2 Fr= 1--      16.274                 20.123                 45.432
 ROA2   Fr= 1--    -115.619               -567.194               -460.909
 CID2   Fr= 1--      -7.104                -28.187                -10.145
 Raman3 Fr= 1--      32.549                 40.246                 90.864
 ROA3   Fr= 1--    -491.977              -2015.516              -1765.985
 CID3   Fr= 1--     -15.115                -50.080                -19.435
 RC180  Fr= 1--      -0.302                 -0.635                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.22   0.03  -0.42    -0.07  -0.11  -0.19    -0.02   0.02  -0.02
     2   6    -0.12   0.05  -0.03     0.02  -0.06  -0.04    -0.02   0.02   0.00
     3   6    -0.05   0.15   0.08    -0.04   0.09   0.04     0.00  -0.01  -0.01
     4   1    -0.27   0.23   0.05    -0.28   0.20  -0.02     0.04  -0.03   0.00
     5   6     0.18  -0.07   0.07     0.04  -0.01   0.02     0.01  -0.01   0.00
     6   1     0.29  -0.34  -0.05     0.03   0.03   0.05     0.04  -0.07  -0.03
     7   6    -0.00  -0.06  -0.05     0.07  -0.10  -0.03    -0.02   0.03   0.00
     8   1    -0.24  -0.25  -0.36    -0.04  -0.19  -0.16    -0.02   0.03   0.01
     9   6    -0.03  -0.01  -0.03    -0.04   0.04  -0.01     0.01  -0.02  -0.00
    10   6    -0.00   0.00   0.01     0.02  -0.00   0.01    -0.01   0.01   0.00
    11   6     0.03  -0.04  -0.03    -0.03   0.02   0.02     0.02  -0.02   0.00
    12   6     0.03  -0.05   0.02    -0.01   0.15   0.04     0.01  -0.03   0.01
    13   6     0.01  -0.01  -0.00     0.01   0.08   0.04     0.00  -0.02  -0.01
    14   6     0.01   0.03   0.02     0.01  -0.10  -0.04    -0.00   0.02   0.01
    15   6     0.03   0.02   0.00    -0.01   0.00  -0.01    -0.01   0.02  -0.00
    16   6    -0.00   0.01  -0.00     0.04   0.01   0.01    -0.02   0.00  -0.01
    17   6    -0.01  -0.00  -0.00    -0.02   0.00   0.00     0.01  -0.00   0.00
    18   6     0.00   0.01   0.01    -0.03  -0.07  -0.05     0.00   0.01   0.01
    19   6    -0.06   0.06   0.01     0.05  -0.14  -0.02    -0.01   0.03   0.01
    20   6    -0.02   0.03   0.01     0.05  -0.07  -0.02    -0.02   0.02   0.01
    21   6     0.05  -0.03  -0.00    -0.07   0.05   0.01     0.01  -0.01  -0.00
    22   6    -0.02   0.00  -0.00    -0.01  -0.01  -0.01     0.02   0.00   0.00
    23   6    -0.03  -0.00   0.02    -0.00  -0.05  -0.04     0.03  -0.05  -0.02
    24   6     0.03  -0.04  -0.01    -0.06   0.09   0.03     0.01  -0.02  -0.01
    25   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.01   0.00   0.00
    26   6    -0.00   0.01   0.00     0.00  -0.04  -0.01     0.03   0.02   0.00
    27   6    -0.00   0.00   0.00     0.03   0.05   0.02     0.02  -0.08  -0.04
    28   6     0.01   0.01   0.01    -0.05  -0.06  -0.02    -0.14  -0.10  -0.03
    29   6     0.03  -0.02  -0.02    -0.03   0.03   0.02    -0.12   0.19   0.11
    30   6     0.00  -0.03  -0.02     0.02   0.09   0.05     0.09   0.06   0.02
    31   1    -0.01   0.00  -0.02     0.21   0.15   0.25    -0.06  -0.03  -0.06
    32   1     0.02   0.03   0.03    -0.08  -0.05  -0.09     0.06  -0.01   0.03
    33   1     0.00  -0.04  -0.01    -0.08   0.28   0.06     0.03  -0.08  -0.02
    34   1     0.00   0.01   0.00     0.06  -0.12  -0.01    -0.07   0.04  -0.02
    35   1     0.07  -0.01   0.01     0.02   0.13   0.03    -0.05  -0.07  -0.03
    36   1    -0.06   0.13   0.02     0.06  -0.26  -0.06    -0.01   0.08   0.03
    37   1     0.04  -0.03  -0.01    -0.13   0.02   0.01     0.04   0.01   0.00
    38   1    -0.13   0.02   0.02     0.30  -0.04  -0.05    -0.16   0.03   0.02
    39   1    -0.02   0.00   0.01     0.13   0.04  -0.00     0.47  -0.15  -0.12
    40   1    -0.01   0.08   0.03     0.01  -0.26  -0.12    -0.09  -0.29  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.00
    42   1     0.03  -0.05  -0.00     0.07   0.12  -0.02     0.61   0.06  -0.22
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1124.4652              1147.3298              1170.5284
 Red. masses --      3.1012                 1.7852                 1.3741
 Frc consts  --      2.3104                 1.3845                 1.1093
 IR Inten    --      4.0035                 9.9911                 4.3620
 RamAct Fr= 1--     24.5769                 1.4757                13.0641
  Dep-P Fr= 1--      0.1183                 0.3728                 0.7348
  Dep-U Fr= 1--      0.2116                 0.5431                 0.8471
 Alpha2 Fr= 1--      0.4113                 0.0120                 0.0034
 Beta2  Fr= 1--      0.8666                 0.1336                 1.8445
 AlphaG Fr= 1--     -0.1216                -0.0869                -0.0298
 Gamma2 Fr= 1--     10.1533                 1.0366               -17.3725
 Delta2 Fr= 1--      3.6863                 0.3963                 0.7952
 Raman1 Fr= 1--      98.308                  5.903                 52.256
 ROA1   Fr= 1--    1092.684                112.196              -1642.310
 CID1   Fr= 1--      11.115                 19.007                -31.428
 Raman2 Fr= 1--      10.400                  1.603                 22.134
 ROA2   Fr= 1--     214.190                 21.708               -423.301
 CID2   Fr= 1--      20.596                 13.542                -19.125
 Raman3 Fr= 1--      20.800                  3.206                 44.268
 ROA3   Fr= 1--    1092.684                112.196              -1642.310
 CID3   Fr= 1--      52.534                 34.996                -37.100
 RC180  Fr= 1--      -0.577                  0.086                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.18   0.09   0.23     0.12  -0.03   0.13    -0.12  -0.04  -0.16
     2   6     0.03  -0.02   0.02     0.07  -0.06   0.01    -0.04   0.01  -0.02
     3   6     0.02   0.02   0.03    -0.02   0.02   0.00     0.03  -0.01   0.01
     4   1     0.05   0.00   0.05    -0.22   0.12  -0.07     0.22  -0.12   0.09
     5   6    -0.04   0.01  -0.02    -0.02   0.03   0.01     0.00   0.00   0.00
     6   1    -0.08   0.11   0.03    -0.14   0.33   0.17     0.03  -0.06  -0.03
     7   6     0.06  -0.04   0.02     0.05  -0.08  -0.02    -0.02   0.02   0.00
     8   1     0.14   0.02   0.12    -0.04  -0.15  -0.15    -0.02   0.03   0.00
     9   6    -0.03   0.01  -0.01    -0.05   0.05  -0.01     0.03  -0.00   0.03
    10   6     0.01  -0.01   0.00     0.03  -0.04  -0.00    -0.02   0.00  -0.01
    11   6    -0.12   0.02  -0.11    -0.04   0.05   0.01     0.02  -0.02   0.01
    12   6    -0.04  -0.08  -0.03     0.03  -0.01   0.00    -0.04   0.03  -0.02
    13   6    -0.00  -0.02  -0.01     0.01   0.02   0.01    -0.03   0.03  -0.01
    14   6    -0.00   0.02   0.01    -0.01   0.01   0.00     0.02  -0.03  -0.00
    15   6     0.18   0.04   0.06     0.02  -0.08  -0.00    -0.01  -0.04  -0.01
    16   6     0.11   0.02   0.04     0.00  -0.02  -0.01     0.03  -0.03   0.00
    17   6    -0.11  -0.05  -0.05     0.01   0.02   0.01    -0.02   0.03   0.01
    18   6     0.04   0.03   0.03    -0.01  -0.02  -0.01     0.04  -0.02   0.01
    19   6    -0.07   0.06  -0.01    -0.01  -0.00  -0.01     0.01   0.00  -0.00
    20   6    -0.01   0.01   0.00    -0.03   0.03   0.00     0.03   0.01  -0.00
    21   6     0.06  -0.01   0.01     0.03  -0.02  -0.00    -0.02  -0.01  -0.01
    22   6    -0.12   0.00  -0.03    -0.02   0.02   0.00    -0.02   0.02   0.00
    23   6    -0.14  -0.08   0.01     0.01   0.04   0.02    -0.04   0.01   0.02
    24   6     0.01  -0.02  -0.01     0.02  -0.00   0.00    -0.03   0.00  -0.00
    25   6     0.01   0.02   0.01    -0.01  -0.04  -0.02     0.03  -0.02  -0.01
    26   6    -0.03  -0.03  -0.01     0.02   0.07   0.02    -0.01   0.03   0.01
    27   6     0.04   0.07   0.02    -0.01  -0.07  -0.03     0.04  -0.03  -0.02
    28   6    -0.04  -0.03  -0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    29   6     0.05  -0.03  -0.02    -0.02   0.03   0.02    -0.00  -0.00  -0.00
    30   6     0.04   0.03   0.00    -0.01  -0.06  -0.03    -0.01  -0.03  -0.01
    31   1     0.00  -0.02  -0.01     0.14   0.05   0.11    -0.07  -0.04  -0.08
    32   1    -0.06   0.05  -0.02    -0.27   0.14  -0.09     0.18  -0.12   0.06
    33   1    -0.11  -0.03  -0.05    -0.02   0.15   0.05    -0.09   0.35   0.08
    34   1     0.44  -0.13   0.15    -0.03  -0.01  -0.02     0.36  -0.15   0.11
    35   1     0.37   0.28   0.13    -0.01  -0.05  -0.02    -0.04  -0.03   0.00
    36   1    -0.12  -0.02  -0.03    -0.08   0.21   0.04    -0.02   0.06  -0.01
    37   1    -0.06  -0.09  -0.02     0.24   0.23   0.08    -0.12  -0.09  -0.02
    38   1     0.00   0.02   0.01    -0.26   0.00   0.01     0.22  -0.06  -0.04
    39   1     0.15   0.06   0.00     0.20  -0.11  -0.07     0.40  -0.09  -0.10
    40   1     0.00  -0.13  -0.06    -0.11   0.33   0.17    -0.15   0.40   0.20
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    42   1     0.31  -0.00  -0.06     0.05  -0.07  -0.03     0.02  -0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1172.0035              1181.8128              1183.1430
 Red. masses --      1.3159                 1.1975                 1.1735
 Frc consts  --      1.0649                 0.9854                 0.9678
 IR Inten    --      3.0158                 2.7022                 0.7606
 RamAct Fr= 1--      5.5467                19.7896                16.0747
  Dep-P Fr= 1--      0.5096                 0.1072                 0.2353
  Dep-U Fr= 1--      0.6752                 0.1936                 0.3809
 Alpha2 Fr= 1--      0.0262                 0.3404                 0.1985
 Beta2  Fr= 1--      0.6241                 0.6385                 1.0205
 AlphaG Fr= 1--      0.0032                -0.9760                -0.6404
 Gamma2 Fr= 1--     -4.8075                 5.2188                -5.0596
 Delta2 Fr= 1--      1.6951                -0.4151                -2.5908
 Raman1 Fr= 1--      22.187                 79.159                 64.299
 ROA1   Fr= 1--    -407.276                487.723               -568.622
 CID1   Fr= 1--     -18.357                  6.161                 -8.843
 Raman2 Fr= 1--       7.490                  7.662                 12.246
 ROA2   Fr= 1--    -128.941                128.572               -100.703
 CID2   Fr= 1--     -17.216                 16.780                 -8.223
 Raman3 Fr= 1--      14.980                 15.325                 24.492
 ROA3   Fr= 1--    -407.276                487.723               -568.622
 CID3   Fr= 1--     -27.189                 31.826                -23.216
 RC180  Fr= 1--       0.350                 -0.613                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04  -0.02   0.04    -0.09  -0.04  -0.14     0.03   0.03   0.03
     2   6     0.03  -0.02   0.00    -0.02   0.00  -0.02    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.02  -0.00   0.02    -0.01   0.01   0.00
     4   1    -0.06   0.02  -0.02     0.22  -0.11   0.10    -0.05   0.03  -0.02
     5   6    -0.01   0.04   0.03    -0.01   0.00   0.00    -0.00  -0.03  -0.02
     6   1    -0.14   0.39   0.21    -0.01   0.03   0.01     0.07  -0.22  -0.13
     7   6    -0.01  -0.04  -0.04    -0.00   0.01   0.00     0.02   0.01   0.03
     8   1    -0.21  -0.20  -0.33    -0.02   0.00  -0.01     0.15   0.11   0.21
     9   6    -0.01   0.02   0.01     0.01   0.01   0.02    -0.01   0.01  -0.00
    10   6    -0.02  -0.02  -0.02    -0.00  -0.00  -0.00     0.03  -0.00   0.01
    11   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.02  -0.01  -0.02
    12   6    -0.00   0.00  -0.01    -0.02  -0.01  -0.02     0.01  -0.02   0.00
    13   6    -0.02  -0.02  -0.02    -0.01   0.03   0.01     0.00   0.01   0.00
    14   6     0.03   0.02   0.02     0.00  -0.02  -0.01    -0.03   0.00  -0.02
    15   6     0.02  -0.01   0.01    -0.00  -0.03  -0.00     0.02  -0.01   0.01
    16   6    -0.01  -0.03  -0.01     0.01   0.00   0.00    -0.01   0.00  -0.00
    17   6     0.00   0.01   0.01    -0.02   0.03   0.01     0.00   0.01   0.00
    18   6     0.02   0.01   0.01     0.02  -0.03  -0.00    -0.00  -0.01  -0.00
    19   6     0.02   0.04   0.01     0.00  -0.01  -0.00     0.02   0.01   0.00
    20   6     0.02   0.02   0.01    -0.01   0.02   0.00    -0.01   0.01   0.00
    21   6    -0.02  -0.02  -0.01     0.01  -0.02  -0.01    -0.01  -0.04  -0.02
    22   6     0.00   0.03   0.01    -0.01   0.01   0.00     0.01   0.04   0.02
    23   6    -0.01  -0.01   0.00     0.03  -0.01  -0.01    -0.00   0.01   0.00
    24   6    -0.01  -0.03  -0.01     0.04   0.00   0.00    -0.02  -0.02  -0.01
    25   6     0.02   0.02   0.01    -0.03  -0.01  -0.00     0.03   0.02   0.01
    26   6    -0.03  -0.03  -0.00    -0.00   0.01   0.00    -0.01  -0.02  -0.00
    27   6     0.01   0.03   0.01    -0.04   0.01   0.01     0.01   0.01   0.00
    28   6     0.00  -0.01  -0.00     0.03  -0.03  -0.02    -0.00   0.00   0.00
    29   6    -0.01  -0.01  -0.00    -0.00   0.01   0.01    -0.01  -0.01  -0.00
    30   6     0.02   0.03   0.00     0.01   0.01   0.00     0.01   0.01   0.00
    31   1    -0.18  -0.16  -0.22     0.02   0.02   0.02     0.21   0.15   0.23
    32   1     0.21  -0.08   0.10    -0.02  -0.02  -0.00    -0.31   0.14  -0.12
    33   1     0.02  -0.01  -0.02    -0.10   0.37   0.10    -0.00   0.04   0.01
    34   1    -0.00   0.01   0.02     0.36  -0.16   0.09     0.01  -0.02  -0.00
    35   1    -0.22  -0.21  -0.09    -0.09  -0.11  -0.05    -0.30  -0.31  -0.14
    36   1    -0.07   0.27   0.06    -0.06   0.18   0.04    -0.11   0.44   0.12
    37   1    -0.20  -0.24  -0.07     0.24   0.22   0.07    -0.19  -0.21  -0.06
    38   1     0.21  -0.02  -0.02    -0.34   0.06   0.03     0.25  -0.03  -0.02
    39   1    -0.09   0.04   0.03    -0.33   0.05   0.08    -0.01   0.01   0.00
    40   1     0.07  -0.19  -0.09     0.13  -0.32  -0.16     0.02  -0.05  -0.02
    41  35     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.03   0.02   0.01    -0.00   0.02  -0.00     0.01   0.01   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1188.2491              1210.7502              1219.5259
 Red. masses --      1.2217                 3.3310                 1.8274
 Frc consts  --      1.0163                 2.8770                 1.6012
 IR Inten    --      0.9620                 0.2533                 1.8968
 RamAct Fr= 1--      7.3781                29.2024               233.6009
  Dep-P Fr= 1--      0.2845                 0.1497                 0.0809
  Dep-U Fr= 1--      0.4430                 0.2605                 0.1497
 Alpha2 Fr= 1--      0.0792                 0.4517                 4.2842
 Beta2  Fr= 1--      0.5447                 1.2677                 5.8301
 AlphaG Fr= 1--      0.0003                -0.3321                -3.6494
 Gamma2 Fr= 1--     -0.6499                -0.5604                66.4268
 Delta2 Fr= 1--      1.4152                -7.4382               -14.9755
 Raman1 Fr= 1--      29.512                116.810                934.404
 ROA1   Fr= 1--     -17.099               -291.818               5897.759
 CID1   Fr= 1--      -0.579                 -2.498                  6.312
 Raman2 Fr= 1--       6.537                 15.212                 69.962
 ROA2   Fr= 1--     -26.919                 46.057               1714.047
 CID2   Fr= 1--      -4.118                  3.028                 24.500
 Raman3 Fr= 1--      13.073                 30.424                139.923
 ROA3   Fr= 1--     -17.099               -291.818               5897.759
 CID3   Fr= 1--      -1.308                 -9.592                 42.150
 RC180  Fr= 1--      -0.114                 -0.479                 -0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.18  -0.11  -0.31    -0.02   0.01  -0.02    -0.04  -0.00  -0.04
     2   6    -0.03   0.00  -0.02     0.00   0.02   0.02    -0.02   0.01  -0.01
     3   6     0.04  -0.01   0.02     0.01   0.00   0.01     0.01   0.00   0.01
     4   1     0.45  -0.23   0.19     0.28  -0.13   0.10     0.10  -0.04   0.05
     5   6    -0.01   0.02   0.01     0.01   0.02   0.02     0.01   0.00   0.01
     6   1    -0.10   0.26   0.13    -0.13   0.38   0.21     0.01  -0.00   0.01
     7   6    -0.01   0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     8   1    -0.13  -0.09  -0.18    -0.11  -0.09  -0.15     0.05   0.03   0.06
     9   6     0.00   0.04   0.03    -0.03  -0.03  -0.05    -0.00  -0.02  -0.02
    10   6     0.04  -0.02   0.01    -0.03   0.04   0.01    -0.00  -0.00  -0.00
    11   6     0.03  -0.03   0.01    -0.00  -0.04  -0.05    -0.02  -0.00  -0.02
    12   6    -0.02  -0.02  -0.02     0.04  -0.10   0.01    -0.02   0.09   0.02
    13   6    -0.04   0.03  -0.01     0.12  -0.04   0.05    -0.08   0.04  -0.02
    14   6    -0.02  -0.01  -0.02    -0.00   0.04   0.01     0.01  -0.03  -0.01
    15   6     0.02  -0.00   0.01    -0.04   0.12  -0.01     0.13   0.04   0.05
    16   6     0.00  -0.02  -0.00    -0.04   0.19   0.04    -0.02   0.03   0.00
    17   6     0.03  -0.02   0.00    -0.06  -0.02  -0.03     0.01  -0.02   0.00
    18   6    -0.01   0.03   0.01    -0.01  -0.06  -0.03    -0.01   0.01   0.01
    19   6    -0.00   0.02   0.00    -0.08  -0.06   0.00     0.03  -0.11  -0.02
    20   6     0.01   0.01   0.00    -0.13  -0.12  -0.03    -0.08  -0.08  -0.03
    21   6    -0.00   0.01   0.00     0.07  -0.05  -0.01     0.02  -0.02  -0.01
    22   6    -0.01  -0.01  -0.00     0.08   0.00   0.02     0.02   0.02   0.01
    23   6    -0.01  -0.00   0.00     0.09   0.01  -0.02    -0.02  -0.03  -0.01
    24   6    -0.00  -0.01  -0.00    -0.04   0.04   0.01    -0.01   0.04   0.01
    25   6     0.00   0.00   0.00     0.02   0.07   0.03    -0.00   0.01   0.00
    26   6    -0.01  -0.01  -0.00     0.14  -0.04  -0.03    -0.01   0.01   0.00
    27   6     0.01   0.00   0.00    -0.01  -0.03  -0.01     0.01   0.01   0.00
    28   6    -0.00   0.00   0.00    -0.04  -0.01   0.00     0.01   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.02   0.04   0.02     0.01  -0.01  -0.01
    30   6     0.00   0.00  -0.00    -0.04  -0.00   0.01    -0.02  -0.00   0.00
    31   1     0.23   0.14   0.22    -0.06   0.02  -0.02    -0.01  -0.01  -0.01
    32   1    -0.32   0.12  -0.11    -0.09   0.09  -0.02     0.35  -0.20   0.10
    33   1     0.10  -0.27  -0.07    -0.12   0.12   0.05     0.13  -0.43  -0.15
    34   1    -0.16   0.09  -0.03     0.28  -0.17   0.01    -0.10   0.05  -0.01
    35   1     0.07   0.08   0.04     0.02  -0.10  -0.06    -0.11  -0.15  -0.08
    36   1     0.02  -0.08  -0.02     0.06   0.05   0.07    -0.11   0.42   0.15
    37   1    -0.05  -0.06  -0.02    -0.18  -0.09  -0.06     0.27   0.34   0.12
    38   1     0.04  -0.01  -0.01     0.25   0.03   0.02    -0.04   0.02   0.01
    39   1     0.03   0.00  -0.00    -0.01  -0.04  -0.01     0.13  -0.01  -0.02
    40   1    -0.00  -0.00  -0.00    -0.12   0.23   0.12    -0.03   0.11   0.05
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.03  -0.00  -0.01    -0.22   0.02   0.05    -0.03  -0.00   0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1231.0131              1239.9966              1247.4342
 Red. masses --      2.4541                 2.3111                 1.9393
 Frc consts  --      2.1911                 2.0937                 1.7780
 IR Inten    --      1.8501                 0.1697                 1.3616
 RamAct Fr= 1--    114.5399                80.1390                 7.7372
  Dep-P Fr= 1--      0.2715                 0.2088                 0.7482
  Dep-U Fr= 1--      0.4270                 0.3454                 0.8560
 Alpha2 Fr= 1--      1.2772                 1.0631                 0.0002
 Beta2  Fr= 1--      8.1520                 4.6140                 1.1038
 AlphaG Fr= 1--     -2.4250                -3.5368                 0.0064
 Gamma2 Fr= 1--    -17.3526                -1.5278               -40.2762
 Delta2 Fr= 1--    -16.8369                -6.5157                -3.1503
 Raman1 Fr= 1--     458.160                320.556                 30.949
 ROA1   Fr= 1--   -2204.627               -355.176              -3967.327
 CID1   Fr= 1--      -4.812                 -1.108               -128.190
 Raman2 Fr= 1--      97.824                 55.368                 13.246
 ROA2   Fr= 1--    -281.766                 15.458               -941.427
 CID2   Fr= 1--      -2.880                  0.279                -71.074
 Raman3 Fr= 1--     195.649                110.735                 26.491
 ROA3   Fr= 1--   -2204.627               -355.176              -3967.327
 CID3   Fr= 1--     -11.268                 -3.207               -149.760
 RC180  Fr= 1--      -0.146                 -0.309                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.04   0.05   0.06     0.10   0.02   0.14    -0.08  -0.10  -0.16
     2   6     0.00   0.02   0.02     0.02  -0.02  -0.01     0.00  -0.04  -0.03
     3   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.02     0.01  -0.00   0.01
     4   1     0.02  -0.02   0.00    -0.38   0.17  -0.15     0.02  -0.01   0.02
     5   6     0.01   0.00   0.01    -0.04   0.00  -0.03    -0.03   0.00  -0.02
     6   1    -0.04   0.14   0.08     0.07  -0.28  -0.18     0.04  -0.16  -0.11
     7   6    -0.01   0.01  -0.00    -0.03   0.01  -0.02    -0.00   0.01   0.01
     8   1    -0.07  -0.04  -0.08    -0.20  -0.10  -0.24    -0.05  -0.02  -0.07
     9   6    -0.01  -0.03  -0.03     0.10   0.09   0.14     0.04   0.07   0.08
    10   6    -0.01   0.02   0.01     0.05  -0.06  -0.01    -0.00  -0.01  -0.01
    11   6     0.03  -0.04  -0.01     0.07   0.03   0.09    -0.02   0.05   0.03
    12   6     0.02  -0.05  -0.00    -0.05  -0.06  -0.07    -0.01  -0.01  -0.01
    13   6     0.05  -0.02   0.02    -0.12   0.04  -0.05     0.08  -0.03   0.03
    14   6    -0.01   0.02   0.00    -0.01  -0.04  -0.03     0.01  -0.00  -0.00
    15   6    -0.04   0.07  -0.01     0.01   0.03   0.01    -0.01   0.02   0.01
    16   6    -0.04   0.15   0.04    -0.02   0.08   0.02    -0.01   0.04   0.01
    17   6    -0.04  -0.02  -0.02     0.00  -0.00   0.01    -0.03  -0.01  -0.01
    18   6    -0.01  -0.04  -0.02     0.02   0.01   0.02    -0.01  -0.03  -0.02
    19   6     0.12  -0.05  -0.01    -0.02  -0.01  -0.00     0.01  -0.01  -0.00
    20   6     0.09   0.09   0.03    -0.02  -0.02  -0.00    -0.08  -0.07  -0.03
    21   6    -0.02  -0.01   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    22   6     0.01  -0.01   0.01     0.03   0.00   0.01     0.03   0.00   0.01
    23   6    -0.10  -0.06  -0.01     0.01  -0.03  -0.02    -0.02   0.07   0.04
    24   6     0.05  -0.03  -0.01    -0.01   0.01   0.01     0.00  -0.01  -0.01
    25   6    -0.02  -0.05  -0.02    -0.00   0.03   0.01     0.01  -0.02  -0.01
    26   6    -0.14   0.02   0.03     0.07  -0.03  -0.02    -0.13   0.05   0.04
    27   6     0.04   0.04   0.01     0.00  -0.00  -0.00    -0.01   0.01   0.01
    28   6     0.03   0.03   0.01    -0.02  -0.01  -0.00     0.04   0.02   0.00
    29   6    -0.00  -0.04  -0.02     0.02   0.01   0.00    -0.01  -0.01  -0.00
    30   6    -0.00   0.02   0.01    -0.02   0.02   0.01     0.04  -0.04  -0.03
    31   1     0.04   0.07   0.07     0.03  -0.09  -0.05    -0.24  -0.21  -0.27
    32   1    -0.09   0.06  -0.02    -0.22   0.03  -0.07    -0.25   0.12  -0.08
    33   1    -0.02  -0.17  -0.05     0.08  -0.26  -0.09    -0.05   0.04   0.01
    34   1     0.16  -0.10   0.01     0.42  -0.14   0.11    -0.13   0.02  -0.05
    35   1    -0.41  -0.37  -0.20    -0.02  -0.06  -0.03     0.15   0.08   0.05
    36   1     0.12  -0.34  -0.09     0.07  -0.13  -0.02     0.02   0.05   0.03
    37   1     0.20   0.11   0.08    -0.05  -0.02  -0.02     0.23   0.23   0.09
    38   1    -0.22  -0.01  -0.00    -0.13   0.06   0.03     0.49  -0.12  -0.06
    39   1     0.37   0.00  -0.06    -0.02  -0.00   0.01     0.11   0.00  -0.02
    40   1     0.03   0.05   0.02    -0.06   0.10   0.05     0.12  -0.21  -0.11
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.02   0.01   0.01    -0.09   0.03   0.02     0.19  -0.06  -0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1251.9930              1284.1098              1301.5206
 Red. masses --      1.8045                 1.6988                 1.5871
 Frc consts  --      1.6665                 1.6504                 1.5840
 IR Inten    --      1.2190                 6.4464                 1.2314
 RamAct Fr= 1--    128.9511                12.2172                 3.2750
  Dep-P Fr= 1--      0.1220                 0.6851                 0.3322
  Dep-U Fr= 1--      0.2175                 0.8132                 0.4988
 Alpha2 Fr= 1--      2.1386                 0.0139                 0.0304
 Beta2  Fr= 1--      4.6737                 1.6558                 0.2722
 AlphaG Fr= 1--      3.3030                -0.0641                 0.4149
 Gamma2 Fr= 1--    -44.4844               -23.5924                -0.8416
 Delta2 Fr= 1--    -21.5021               -13.9553                 1.9284
 Raman1 Fr= 1--     515.804                 48.869                 13.100
 ROA1   Fr= 1--   -4958.568              -2711.439                -19.087
 CID1   Fr= 1--      -9.613                -55.484                 -1.457
 Raman2 Fr= 1--      56.085                 19.869                  3.267
 ROA2   Fr= 1--    -895.608               -454.574                -35.627
 CID2   Fr= 1--     -15.969                -22.878                -10.905
 Raman3 Fr= 1--     112.169                 39.738                  6.534
 ROA3   Fr= 1--   -4958.568              -2711.439                -19.087
 CID3   Fr= 1--     -44.206                -68.233                 -2.921
 RC180  Fr= 1--      -0.565                  0.626                 -0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.13   0.14   0.27    -0.16  -0.15  -0.28     0.16   0.15   0.29
     2   6     0.01   0.05   0.05     0.00  -0.03  -0.02    -0.01   0.02   0.01
     3   6    -0.03  -0.00  -0.02     0.02  -0.01   0.01    -0.02   0.01  -0.00
     4   1    -0.15   0.06  -0.07     0.01  -0.00   0.00     0.07  -0.03   0.03
     5   6     0.02   0.00   0.02     0.01  -0.00   0.00    -0.01   0.01  -0.00
     6   1    -0.04   0.15   0.10     0.01   0.01   0.01     0.01  -0.05  -0.03
     7   6    -0.02   0.00  -0.01     0.02  -0.02  -0.00    -0.01   0.02   0.01
     8   1    -0.05  -0.03  -0.05     0.21   0.11   0.25    -0.21  -0.12  -0.25
     9   6    -0.02  -0.07  -0.06    -0.05   0.02  -0.03     0.06  -0.02   0.03
    10   6     0.01   0.01   0.01     0.00  -0.03  -0.01    -0.01   0.03   0.01
    11   6     0.07  -0.07  -0.00    -0.03   0.08   0.04     0.01  -0.08  -0.05
    12   6    -0.01  -0.03  -0.02     0.03   0.01   0.02    -0.02   0.03   0.00
    13   6    -0.10   0.04  -0.03    -0.03   0.02  -0.01     0.04   0.00   0.02
    14   6    -0.01   0.00  -0.00     0.01   0.00   0.01    -0.01  -0.02  -0.01
    15   6    -0.05  -0.01  -0.02     0.01  -0.07  -0.01    -0.01   0.02   0.00
    16   6    -0.02   0.01  -0.00    -0.03   0.11   0.03     0.01  -0.02  -0.00
    17   6     0.03   0.01   0.02    -0.01   0.01   0.01    -0.01  -0.01  -0.01
    18   6     0.01   0.02   0.02    -0.02  -0.03  -0.02     0.00  -0.00  -0.00
    19   6    -0.02   0.01   0.01    -0.03  -0.00  -0.01     0.05  -0.03  -0.01
    20   6    -0.04  -0.04  -0.02     0.02   0.03   0.01     0.03  -0.03  -0.01
    21   6     0.02  -0.01  -0.00     0.03  -0.02  -0.00    -0.02   0.01  -0.00
    22   6     0.03  -0.00   0.01    -0.00   0.02   0.01     0.00   0.01   0.00
    23   6     0.01   0.08   0.03    -0.03   0.09   0.04    -0.09   0.04   0.03
    24   6    -0.00  -0.01  -0.00    -0.02   0.00   0.00    -0.04   0.03   0.01
    25   6     0.01  -0.02  -0.01     0.02  -0.03  -0.01     0.02  -0.01  -0.00
    26   6    -0.08   0.05   0.03     0.06   0.04   0.01     0.07   0.03   0.00
    27   6    -0.02  -0.01   0.00    -0.01  -0.03  -0.01     0.02  -0.01  -0.01
    28   6     0.02   0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    29   6    -0.02   0.00   0.00    -0.01  -0.02  -0.01    -0.02  -0.06  -0.02
    30   6     0.04  -0.04  -0.03     0.02  -0.03  -0.02    -0.00   0.00   0.00
    31   1     0.29   0.25   0.33    -0.00  -0.03  -0.02    -0.03   0.01  -0.01
    32   1     0.17  -0.09   0.05     0.18  -0.08   0.06    -0.11   0.03  -0.05
    33   1     0.04  -0.03   0.00     0.07  -0.30  -0.10    -0.03   0.09   0.03
    34   1     0.32  -0.09   0.09     0.15  -0.10   0.02    -0.15   0.05  -0.04
    35   1     0.17   0.12   0.07    -0.10  -0.15  -0.07    -0.06  -0.03  -0.02
    36   1     0.05  -0.07  -0.01     0.10  -0.29  -0.08    -0.01   0.06   0.02
    37   1     0.10   0.10   0.03    -0.15  -0.14  -0.05    -0.02   0.05   0.02
    38   1     0.41  -0.10  -0.05     0.03  -0.03  -0.01    -0.08   0.02   0.01
    39   1    -0.02  -0.00  -0.00    -0.38   0.02   0.06    -0.43   0.05   0.08
    40   1     0.10  -0.20  -0.10    -0.02   0.02   0.01    -0.08   0.20   0.10
    41  35    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.14  -0.05  -0.06     0.39  -0.07  -0.13     0.58  -0.05  -0.17
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1321.7910              1362.5774              1364.5080
 Red. masses --      2.4493                 5.3989                 5.0455
 Frc consts  --      2.5213                 5.9058                 5.5349
 IR Inten    --      8.0259                 1.6483                 2.8912
 RamAct Fr= 1--      7.0722               201.5795               129.8725
  Dep-P Fr= 1--      0.2449                 0.6277                 0.6376
  Dep-U Fr= 1--      0.3934                 0.7713                 0.7787
 Alpha2 Fr= 1--      0.0850                 0.4489                 0.2642
 Beta2  Fr= 1--      0.4637                25.9116                16.8547
 AlphaG Fr= 1--     -0.1203                -8.1814                -5.7504
 Gamma2 Fr= 1--      8.2396              -535.8759              -309.0181
 Delta2 Fr= 1--     -2.0219               -66.7785               -30.7670
 Raman1 Fr= 1--      28.289                806.318                519.490
 ROA1   Fr= 1--     726.297             -53581.001             -30650.278
 CID1   Fr= 1--      25.674                -66.451                -59.001
 Raman2 Fr= 1--       5.565                310.939                202.256
 ROA2   Fr= 1--     213.925             -12326.795              -7170.297
 CID2   Fr= 1--      38.444                -39.644                -35.452
 Raman3 Fr= 1--      11.129                621.878                404.512
 ROA3   Fr= 1--     726.297             -53581.001             -30650.278
 CID3   Fr= 1--      65.261                -86.160                -75.771
 RC180  Fr= 1--      -0.213                  0.543                  0.557
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.21  -0.16  -0.35    -0.12  -0.08  -0.20    -0.03  -0.09  -0.18
     2   6     0.02   0.01   0.02     0.03   0.03   0.05     0.11   0.01   0.11
     3   6     0.02  -0.04  -0.02    -0.02  -0.01  -0.03    -0.13   0.07  -0.05
     4   1    -0.26   0.09  -0.12    -0.15   0.05  -0.08     0.19  -0.08   0.05
     5   6     0.03  -0.00   0.02     0.02  -0.04  -0.02     0.01  -0.14  -0.11
     6   1    -0.03   0.15   0.10    -0.04   0.12   0.06    -0.07   0.05  -0.01
     7   6    -0.03  -0.02  -0.04    -0.00   0.01   0.01     0.12   0.07   0.15
     8   1     0.21   0.15   0.28     0.07   0.07   0.11    -0.00  -0.02   0.05
     9   6    -0.05  -0.03  -0.06    -0.05   0.03  -0.01    -0.20   0.25   0.01
    10   6    -0.03  -0.00  -0.01    -0.01  -0.01  -0.01     0.08  -0.10  -0.01
    11   6     0.09   0.06   0.13     0.08  -0.02   0.05     0.00  -0.12  -0.09
    12   6    -0.07  -0.04  -0.07    -0.06  -0.04  -0.05     0.14  -0.07   0.07
    13   6     0.01  -0.08  -0.03     0.00  -0.04  -0.02    -0.10   0.04  -0.03
    14   6     0.02   0.06   0.04     0.02   0.01   0.02    -0.02  -0.00  -0.01
    15   6    -0.03   0.04   0.01     0.01   0.13   0.02    -0.07   0.08  -0.02
    16   6    -0.01  -0.04  -0.01     0.10  -0.05   0.01    -0.10  -0.06  -0.05
    17   6    -0.02   0.01  -0.00    -0.02  -0.04  -0.02     0.08   0.00   0.03
    18   6     0.04   0.02   0.02     0.01   0.05   0.03    -0.03   0.04   0.01
    19   6     0.11   0.05   0.01    -0.06  -0.08  -0.01     0.09  -0.00   0.01
    20   6    -0.03  -0.08  -0.03     0.12   0.00   0.01    -0.04   0.00  -0.00
    21   6    -0.04  -0.01  -0.01    -0.03   0.04   0.01    -0.01   0.04   0.01
    22   6     0.05   0.00   0.01    -0.05  -0.01  -0.02     0.05  -0.05  -0.01
    23   6    -0.07  -0.05  -0.00    -0.00  -0.13  -0.05    -0.01  -0.03  -0.02
    24   6    -0.03   0.01   0.00    -0.00   0.02   0.01    -0.01  -0.02  -0.01
    25   6     0.01   0.05   0.02    -0.02  -0.11  -0.04    -0.00   0.03   0.01
    26   6     0.02  -0.06  -0.02     0.08   0.30   0.09    -0.02  -0.02  -0.01
    27   6     0.05   0.03   0.00    -0.19   0.02   0.03     0.03   0.02   0.01
    28   6    -0.01   0.00   0.00     0.10  -0.16  -0.09     0.01  -0.01  -0.00
    29   6    -0.02  -0.06  -0.02     0.17   0.12   0.03    -0.04  -0.05  -0.02
    30   6    -0.01   0.05   0.02    -0.19  -0.05   0.02    -0.02   0.04   0.02
    31   1     0.09   0.11   0.11    -0.05  -0.03  -0.06    -0.18  -0.33  -0.32
    32   1    -0.13   0.13  -0.00    -0.10   0.07  -0.02     0.22  -0.12   0.05
    33   1    -0.05   0.15   0.04    -0.04   0.03   0.01     0.05   0.17   0.08
    34   1     0.03   0.02   0.03    -0.04   0.07   0.02     0.22  -0.04   0.06
    35   1     0.14   0.15   0.08    -0.21  -0.11  -0.07     0.07   0.11   0.05
    36   1    -0.00   0.16   0.06    -0.11   0.15   0.02     0.02   0.01   0.02
    37   1     0.15   0.22   0.08    -0.05  -0.04  -0.03     0.06   0.05   0.03
    38   1    -0.12   0.09   0.03     0.45  -0.21  -0.10     0.04   0.02   0.01
    39   1    -0.09   0.05   0.03    -0.10  -0.00   0.06    -0.05   0.04   0.02
    40   1    -0.08   0.19   0.10     0.03   0.07   0.02    -0.05   0.18   0.09
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    42   1     0.26   0.02  -0.06     0.20  -0.08  -0.13     0.24   0.02  -0.05
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1378.2901              1387.3926              1392.4249
 Red. masses --      5.2884                 4.6071                 4.5560
 Frc consts  --      5.9192                 5.2249                 5.2045
 IR Inten    --      1.2306                 6.5312                 5.7124
 RamAct Fr= 1--   3637.4352               629.4350               357.4924
  Dep-P Fr= 1--      0.1441                 0.1005                 0.4200
  Dep-U Fr= 1--      0.2519                 0.1827                 0.5915
 Alpha2 Fr= 1--     57.0801                11.0059                 2.4618
 Beta2  Fr= 1--    152.6899                19.1673                35.2447
 AlphaG Fr= 1--   -327.6631              -101.0017               -26.1952
 Gamma2 Fr= 1--  -1545.3585                40.2568              -563.6214
 Delta2 Fr= 1--   -855.4492                78.5787                22.6407
 Raman1 Fr= 1--   14549.741               2517.740               1429.970
 ROA1   Fr= 1-- -175728.789               6379.166             -53383.150
 CID1   Fr= 1--     -12.078                  2.534                -37.332
 Raman2 Fr= 1--    1832.278                230.008                422.937
 ROA2   Fr= 1--  -30245.009                337.533             -13708.039
 CID2   Fr= 1--     -16.507                  1.467                -32.412
 Raman3 Fr= 1--    3664.557                460.016                845.874
 ROA3   Fr= 1-- -175728.789               6379.166             -53383.150
 CID3   Fr= 1--     -47.954                 13.867                -63.110
 RC180  Fr= 1--      -0.496                 -0.635                  0.183
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.02   0.00   0.02     0.07   0.04   0.12     0.09   0.04   0.11
     2   6    -0.00  -0.01  -0.01    -0.08  -0.06  -0.12    -0.00  -0.02  -0.02
     3   6     0.01   0.00   0.01     0.10  -0.02   0.07    -0.03   0.03  -0.00
     4   1     0.01  -0.00   0.01     0.07  -0.01   0.07     0.20  -0.09   0.08
     5   6    -0.01   0.00  -0.00    -0.03   0.10   0.06    -0.01   0.01   0.00
     6   1     0.00  -0.02  -0.02     0.06  -0.12  -0.06     0.04  -0.11  -0.06
     7   6     0.01  -0.01   0.00    -0.03  -0.07  -0.07     0.02   0.01   0.03
     8   1     0.03   0.00   0.03     0.05  -0.01  -0.01    -0.11  -0.09  -0.15
     9   6    -0.01   0.04   0.02     0.09  -0.07   0.03     0.02  -0.04  -0.01
    10   6    -0.01  -0.03  -0.02     0.02  -0.02  -0.01     0.04   0.02   0.04
    11   6    -0.02   0.01  -0.01    -0.13   0.15  -0.01    -0.07   0.01  -0.05
    12   6     0.05  -0.14  -0.02     0.15  -0.15   0.05     0.09   0.15   0.11
    13   6     0.04   0.18   0.10    -0.03   0.08   0.03    -0.04  -0.15  -0.09
    14   6     0.01  -0.04  -0.02    -0.06   0.01  -0.03    -0.05   0.03  -0.00
    15   6    -0.25  -0.05  -0.09    -0.06   0.05  -0.01    -0.01  -0.15  -0.03
    16   6     0.30   0.06   0.11    -0.09  -0.02  -0.04    -0.08  -0.00  -0.01
    17   6     0.03  -0.11  -0.04     0.09  -0.03   0.02    -0.04   0.12   0.04
    18   6    -0.14   0.05  -0.03    -0.07   0.03  -0.01     0.06  -0.06  -0.01
    19   6    -0.02   0.15   0.03     0.13   0.00   0.01     0.01   0.24   0.04
    20   6     0.14  -0.14  -0.03    -0.12   0.10   0.02     0.07  -0.14  -0.04
    21   6    -0.10  -0.09  -0.05     0.02   0.04   0.02    -0.04  -0.08  -0.04
    22   6    -0.04   0.10   0.03     0.04  -0.08  -0.02     0.05   0.12   0.05
    23   6    -0.00  -0.01  -0.00     0.03  -0.13  -0.06    -0.01  -0.12  -0.03
    24   6    -0.01   0.03   0.01    -0.01  -0.08  -0.03    -0.03  -0.01  -0.00
    25   6    -0.03   0.02   0.01     0.01   0.02   0.00    -0.04   0.04   0.02
    26   6     0.00  -0.05  -0.02    -0.02   0.07   0.03     0.04   0.01  -0.00
    27   6     0.01   0.01   0.00    -0.04   0.05   0.02    -0.06   0.05   0.03
    28   6    -0.01  -0.00   0.00     0.07  -0.07  -0.04     0.03  -0.07  -0.03
    29   6     0.00  -0.01  -0.00    -0.02  -0.04  -0.01     0.08   0.04   0.00
    30   6    -0.01   0.01   0.01    -0.10   0.06   0.05    -0.11   0.02   0.03
    31   1    -0.01  -0.03  -0.01     0.19   0.11   0.20     0.01  -0.01   0.00
    32   1     0.29  -0.19   0.09     0.28  -0.16   0.08    -0.15   0.10  -0.07
    33   1     0.09  -0.40  -0.06     0.03   0.19   0.10     0.05  -0.21  -0.09
    34   1    -0.05   0.03  -0.03     0.10  -0.01   0.01     0.21  -0.14   0.06
    35   1    -0.03  -0.04   0.00     0.16   0.17   0.07     0.00  -0.07   0.01
    36   1    -0.11   0.40   0.06    -0.02   0.07   0.04     0.19  -0.28  -0.08
    37   1     0.20   0.27   0.07     0.01  -0.07  -0.00     0.27   0.32   0.09
    38   1    -0.04   0.03   0.01     0.24  -0.03  -0.02     0.22  -0.00  -0.02
    39   1     0.05   0.01  -0.01    -0.08   0.06   0.05     0.13   0.02   0.01
    40   1    -0.01   0.02   0.01    -0.05   0.31   0.14    -0.01   0.08   0.03
    41  35     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.03   0.01  -0.00     0.31   0.03  -0.07     0.06   0.00  -0.01
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1402.5530              1426.3335              1430.5811
 Red. masses --      5.7357                 3.0050                 3.1977
 Frc consts  --      6.6477                 3.6020                 3.8558
 IR Inten    --      2.8864                 2.5018                 2.3080
 RamAct Fr= 1--    525.1350               563.2892                32.0121
  Dep-P Fr= 1--      0.7066                 0.0631                 0.1541
  Dep-U Fr= 1--      0.8281                 0.1186                 0.2670
 Alpha2 Fr= 1--      0.3959                10.7849                 0.4898
 Beta2  Fr= 1--     72.4741                11.1383                 1.4244
 AlphaG Fr= 1--     -2.6301               -75.9028                -1.8998
 Gamma2 Fr= 1--  -1572.2513               205.4726                -3.3134
 Delta2 Fr= 1--   -219.9317                26.3073                -6.1734
 Raman1 Fr= 1--    2100.540               2253.157                128.048
 ROA1   Fr= 1-- -157973.938              20567.200               -515.635
 CID1   Fr= 1--     -75.206                  9.128                 -4.027
 Raman2 Fr= 1--     869.690                133.659                 17.093
 ROA2   Fr= 1--  -35974.577               4720.883                -30.134
 CID2   Fr= 1--     -41.365                 35.320                 -1.763
 Raman3 Fr= 1--    1739.380                267.318                 34.186
 ROA3   Fr= 1-- -157973.938              20567.200               -515.635
 CID3   Fr= 1--     -90.822                 76.939                -15.083
 RC180  Fr= 1--       0.656                 -0.763                 -0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.10  -0.11  -0.21     0.06   0.08   0.15    -0.10  -0.08  -0.16
     2   6     0.00  -0.03  -0.02    -0.03   0.01  -0.02     0.04   0.02   0.06
     3   6     0.04  -0.02   0.01     0.02  -0.00   0.01    -0.02  -0.01  -0.03
     4   1    -0.03   0.02  -0.01    -0.04   0.02   0.00    -0.07   0.02  -0.05
     5   6    -0.01   0.02   0.01     0.00   0.01   0.01     0.01  -0.04  -0.02
     6   1    -0.02   0.04   0.01     0.00   0.01   0.01    -0.04   0.07   0.03
     7   6    -0.03  -0.00  -0.02    -0.00  -0.03  -0.02    -0.01   0.04   0.03
     8   1    -0.06  -0.02  -0.08     0.11   0.06   0.13    -0.11  -0.03  -0.10
     9   6     0.07  -0.07   0.00    -0.03   0.06   0.02     0.03  -0.06  -0.02
    10   6     0.09   0.01   0.06    -0.05  -0.02  -0.05     0.03   0.06   0.05
    11   6    -0.10   0.13  -0.00     0.05  -0.05   0.00     0.00  -0.01   0.00
    12   6     0.14  -0.03   0.10    -0.06  -0.04  -0.05    -0.05   0.11   0.00
    13   6    -0.09  -0.18  -0.12     0.01   0.10   0.04     0.02  -0.07  -0.02
    14   6    -0.10   0.06  -0.03     0.06  -0.02   0.02    -0.01  -0.02  -0.01
    15   6    -0.04   0.22   0.01     0.10  -0.03   0.03    -0.03  -0.07  -0.02
    16   6     0.03  -0.09  -0.03    -0.07  -0.00  -0.02     0.13   0.03   0.05
    17   6     0.04  -0.03   0.00    -0.01  -0.01  -0.00    -0.03   0.04   0.01
    18   6    -0.01   0.09   0.04     0.05  -0.04   0.00    -0.04   0.01  -0.02
    19   6    -0.18  -0.10  -0.01    -0.12   0.06   0.01    -0.05  -0.06  -0.00
    20   6     0.20  -0.13  -0.02     0.03  -0.05  -0.01    -0.05   0.12   0.03
    21   6    -0.04   0.09   0.03     0.05   0.03   0.02    -0.00  -0.04  -0.01
    22   6    -0.03  -0.04  -0.02    -0.03   0.03   0.00    -0.03  -0.02  -0.01
    23   6     0.06   0.17   0.04     0.14   0.03  -0.02     0.17  -0.05  -0.06
    24   6     0.09   0.10   0.03     0.09  -0.00   0.00     0.03  -0.06  -0.02
    25   6    -0.12  -0.03  -0.01    -0.13   0.03   0.01    -0.02   0.01   0.00
    26   6    -0.04  -0.11  -0.04    -0.05  -0.10  -0.03    -0.08   0.02   0.02
    27   6     0.04   0.01   0.00    -0.01   0.07   0.03     0.04   0.03   0.01
    28   6     0.00   0.02   0.01     0.07  -0.05  -0.03     0.06  -0.04  -0.03
    29   6    -0.04  -0.04  -0.01    -0.06  -0.05  -0.01    -0.16  -0.08  -0.01
    30   6     0.03  -0.03  -0.01    -0.06   0.05   0.04     0.03   0.09   0.04
    31   1     0.06  -0.03   0.03     0.01   0.04   0.02    -0.11  -0.06  -0.10
    32   1    -0.08   0.06  -0.05     0.03  -0.02   0.04    -0.18   0.07  -0.08
    33   1     0.01   0.11   0.06    -0.06   0.19   0.04     0.07  -0.35  -0.11
    34   1     0.37  -0.04   0.14    -0.30   0.10  -0.09     0.26  -0.11   0.06
    35   1    -0.36  -0.19  -0.11    -0.22  -0.23  -0.11     0.19   0.14   0.07
    36   1    -0.08   0.09   0.02     0.06  -0.28  -0.07    -0.10   0.22   0.04
    37   1     0.07   0.07  -0.01     0.15   0.06   0.00     0.03  -0.06  -0.01
    38   1    -0.06  -0.05  -0.01     0.21  -0.05  -0.01     0.13  -0.03  -0.01
    39   1     0.11   0.01  -0.03     0.16   0.06  -0.00    -0.20   0.08   0.06
    40   1    -0.01   0.06   0.02    -0.05   0.32   0.14    -0.08   0.40   0.19
    41  35    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    42   1     0.25  -0.04  -0.09     0.40   0.01  -0.11     0.15   0.10  -0.01
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1457.3724              1463.3395              1476.4824
 Red. masses --      1.9830                 1.9286                 2.3270
 Frc consts  --      2.4814                 2.4332                 2.9888
 IR Inten    --      0.5247                 6.0050                 3.1106
 RamAct Fr= 1--     14.4319                44.5675                35.4645
  Dep-P Fr= 1--      0.7419                 0.3528                 0.3329
  Dep-U Fr= 1--      0.8518                 0.5216                 0.4995
 Alpha2 Fr= 1--      0.0020                 0.3877                 0.3289
 Beta2  Fr= 1--      2.0489                 3.8745                 2.9522
 AlphaG Fr= 1--     -0.1140                -2.5499                -4.2850
 Gamma2 Fr= 1--    -14.2672                16.3244               -14.1220
 Delta2 Fr= 1--     -1.5709                34.3491                28.7499
 Raman1 Fr= 1--      57.727                178.270                141.858
 ROA1   Fr= 1--   -1419.924               2666.314               -435.717
 CID1   Fr= 1--     -24.597                 14.957                 -3.071
 Raman2 Fr= 1--      24.587                 46.494                 35.427
 ROA2   Fr= 1--    -329.846                116.992               -568.928
 CID2   Fr= 1--     -13.416                  2.516                -16.059
 Raman3 Fr= 1--      49.173                 92.988                 70.853
 ROA3   Fr= 1--   -1419.924               2666.314               -435.717
 CID3   Fr= 1--     -28.876                 28.674                 -6.150
 RC180  Fr= 1--       0.704                  0.043                 -0.001
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.07  -0.05    -0.05  -0.00  -0.05     0.25   0.14   0.38
     2   6     0.05  -0.04   0.01    -0.01   0.02   0.01    -0.04  -0.06  -0.10
     3   6    -0.07   0.00  -0.05     0.04  -0.01   0.02    -0.05   0.04  -0.01
     4   1     0.20  -0.14   0.04    -0.14   0.09  -0.04     0.36  -0.17   0.15
     5   6    -0.04   0.05   0.01     0.01  -0.03  -0.02     0.01   0.08   0.08
     6   1     0.11  -0.35  -0.20    -0.07   0.18   0.09     0.14  -0.23  -0.08
     7   6     0.08   0.03   0.08    -0.04  -0.00  -0.03     0.03  -0.07  -0.04
     8   1    -0.20  -0.19  -0.30     0.06   0.08   0.10     0.14   0.00   0.11
     9   6    -0.02  -0.00  -0.02     0.02  -0.00   0.02    -0.10   0.05  -0.04
    10   6    -0.03  -0.08  -0.07     0.03   0.02   0.03    -0.05  -0.00  -0.03
    11   6     0.01   0.06   0.06    -0.02  -0.01  -0.03     0.07  -0.01   0.06
    12   6    -0.03   0.00  -0.03     0.02  -0.01   0.02     0.01  -0.02   0.00
    13   6     0.02  -0.06  -0.01    -0.04   0.01  -0.01    -0.00  -0.03  -0.02
    14   6    -0.07   0.09   0.01    -0.01  -0.02  -0.02     0.10  -0.01   0.05
    15   6     0.00   0.01   0.00    -0.00   0.02  -0.00    -0.01   0.07   0.00
    16   6     0.04   0.02   0.02     0.02  -0.03  -0.00     0.00  -0.05  -0.01
    17   6    -0.03  -0.05  -0.03     0.01  -0.04  -0.01    -0.01   0.08   0.03
    18   6     0.06   0.01   0.03     0.02   0.02   0.02    -0.04  -0.01  -0.02
    19   6    -0.02  -0.02  -0.00    -0.01  -0.00   0.00    -0.04  -0.03  -0.00
    20   6    -0.01   0.02   0.00     0.01   0.02   0.00     0.06   0.01   0.01
    21   6     0.03  -0.00   0.00     0.07   0.02   0.02    -0.04   0.01  -0.00
    22   6    -0.03   0.03   0.00    -0.06   0.06   0.01     0.01  -0.03  -0.01
    23   6     0.01  -0.01  -0.01    -0.03  -0.05  -0.01    -0.01  -0.01  -0.00
    24   6    -0.02  -0.03  -0.01    -0.07  -0.10  -0.04    -0.01  -0.02  -0.01
    25   6    -0.01   0.01   0.01    -0.04   0.06   0.02    -0.03   0.00   0.00
    26   6    -0.00   0.01   0.01     0.03   0.03   0.01    -0.01   0.03   0.01
    27   6     0.03  -0.01  -0.01     0.10  -0.03  -0.03     0.07  -0.01  -0.02
    28   6    -0.01  -0.01  -0.00    -0.06  -0.02   0.00    -0.02  -0.02  -0.00
    29   6    -0.02   0.00   0.00    -0.02   0.03   0.02    -0.03   0.02   0.01
    30   6     0.03   0.01  -0.00     0.07   0.00  -0.01     0.06   0.00  -0.01
    31   1     0.28   0.17   0.27    -0.06  -0.06  -0.07    -0.08  -0.01  -0.07
    32   1     0.37  -0.11   0.14    -0.07   0.00  -0.04    -0.21   0.14  -0.03
    33   1    -0.10   0.16   0.04    -0.03   0.13   0.04     0.09  -0.24  -0.08
    34   1    -0.19   0.10  -0.03    -0.09   0.06  -0.00     0.20  -0.10   0.04
    35   1    -0.05  -0.08  -0.04    -0.18  -0.21  -0.10     0.03   0.08   0.04
    36   1     0.01  -0.09  -0.04     0.05  -0.28  -0.10    -0.03   0.11   0.03
    37   1     0.08   0.07   0.03     0.31   0.30   0.12     0.10   0.09   0.04
    38   1     0.11  -0.01  -0.01     0.37  -0.02  -0.02     0.12  -0.03  -0.02
    39   1    -0.12   0.02   0.02    -0.36   0.03   0.06    -0.23   0.03   0.04
    40   1    -0.04   0.06   0.03    -0.10   0.08   0.05    -0.07   0.09   0.05
    41  35     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.08   0.02   0.03    -0.30   0.04   0.10    -0.16   0.02   0.05
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1510.5942              1515.5424              1537.3284
 Red. masses --      3.5609                 3.1298                 3.4101
 Frc consts  --      4.7874                 4.2355                 4.7485
 IR Inten    --     10.3182                 5.2962                17.7397
 RamAct Fr= 1--     40.7063               109.0227               205.1947
  Dep-P Fr= 1--      0.7032                 0.6942                 0.1812
  Dep-U Fr= 1--      0.8257                 0.8195                 0.3067
 Alpha2 Fr= 1--      0.0332                 0.1064                 2.9281
 Beta2  Fr= 1--      5.6020                14.8904                10.4901
 AlphaG Fr= 1--     -0.4168                -2.1037               -10.3309
 Gamma2 Fr= 1--    -59.8197              -156.8494              -216.7148
 Delta2 Fr= 1--     23.5118                48.0551               -44.4797
 Raman1 Fr= 1--     162.825                436.091                820.779
 ROA1   Fr= 1--   -4990.310             -13519.780             -22227.977
 CID1   Fr= 1--     -30.648                -31.002                -27.082
 Raman2 Fr= 1--      67.224                178.685                125.881
 ROA2   Fr= 1--   -1623.766              -4148.826              -4845.318
 CID2   Fr= 1--     -24.155                -23.219                -38.491
 Raman3 Fr= 1--     134.448                357.370                251.762
 ROA3   Fr= 1--   -4990.310             -13519.780             -22227.977
 CID3   Fr= 1--     -37.117                -37.831                -88.290
 RC180  Fr= 1--       0.651                  0.639                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.10   0.10   0.18     0.13   0.04   0.17     0.05   0.07   0.11
     2   6    -0.06  -0.01  -0.06     0.00  -0.04  -0.04    -0.04  -0.00  -0.04
     3   6     0.04   0.03   0.05    -0.07   0.04  -0.02     0.03   0.02   0.04
     4   1    -0.03   0.07   0.04     0.25  -0.13   0.09    -0.07   0.07   0.01
     5   6     0.03  -0.05  -0.02     0.03   0.03   0.05     0.02  -0.06  -0.04
     6   1    -0.07   0.22   0.13     0.08  -0.09  -0.01    -0.08   0.19   0.09
     7   6    -0.06  -0.02  -0.06    -0.00  -0.04  -0.03    -0.04   0.01  -0.03
     8   1     0.16   0.15   0.24     0.08   0.02   0.07     0.07   0.09   0.12
     9   6     0.02   0.10   0.08    -0.05  -0.02  -0.05     0.04   0.09   0.09
    10   6     0.01  -0.07  -0.04     0.04   0.05   0.06    -0.04  -0.08  -0.08
    11   6     0.01  -0.05  -0.03     0.04   0.03   0.06     0.01  -0.05  -0.02
    12   6     0.06   0.01   0.05     0.01   0.02   0.01     0.00   0.03   0.02
    13   6    -0.07  -0.04  -0.06    -0.09  -0.02  -0.06     0.07  -0.07   0.01
    14   6    -0.05   0.04  -0.01     0.04  -0.04   0.00    -0.05   0.07   0.01
    15   6    -0.02   0.05  -0.01    -0.06   0.01  -0.02    -0.02   0.04  -0.00
    16   6     0.01   0.06   0.03     0.10  -0.03   0.02     0.04  -0.03   0.00
    17   6    -0.07  -0.03  -0.03     0.03  -0.10  -0.03    -0.05   0.09   0.02
    18   6     0.16  -0.05   0.04     0.01   0.07   0.04     0.01  -0.04  -0.02
    19   6    -0.07  -0.02   0.00     0.02  -0.03  -0.00    -0.03  -0.06  -0.01
    20   6     0.03  -0.04  -0.01    -0.12  -0.02  -0.02     0.05   0.08   0.03
    21   6    -0.07  -0.12  -0.05     0.11  -0.00   0.02    -0.02   0.01   0.00
    22   6     0.05   0.08   0.04    -0.08   0.12   0.03    -0.01  -0.03  -0.01
    23   6     0.04  -0.06  -0.03     0.06  -0.02  -0.02     0.05  -0.01  -0.02
    24   6     0.01   0.08   0.03    -0.05   0.00   0.00    -0.08  -0.10  -0.03
    25   6     0.11  -0.07  -0.03     0.11   0.01   0.00    -0.03   0.06   0.02
    26   6    -0.10   0.10   0.05     0.03   0.02   0.00     0.13   0.00  -0.02
    27   6     0.02   0.00  -0.00    -0.10  -0.02   0.01    -0.08  -0.07  -0.02
    28   6     0.03  -0.03  -0.02     0.03   0.10   0.04    -0.02   0.18   0.08
    29   6    -0.10  -0.02   0.01    -0.03  -0.10  -0.04     0.00  -0.12  -0.05
    30   6     0.09   0.03  -0.00    -0.04   0.04   0.03    -0.07   0.04   0.03
    31   1     0.12   0.02   0.08    -0.16  -0.12  -0.17     0.19   0.10   0.17
    32   1     0.12  -0.04   0.05    -0.24   0.09  -0.09     0.20  -0.05   0.09
    33   1    -0.13   0.16   0.02    -0.04   0.17   0.06     0.03  -0.21  -0.08
    34   1    -0.34   0.13  -0.06    -0.03   0.09   0.03     0.05  -0.07  -0.01
    35   1     0.20   0.12   0.08    -0.13  -0.23  -0.11     0.02   0.05   0.02
    36   1     0.08   0.00   0.01     0.06  -0.32  -0.12    -0.04   0.07   0.01
    37   1    -0.21  -0.14  -0.05    -0.09  -0.02  -0.00     0.20   0.20   0.08
    38   1    -0.31   0.01   0.01    -0.17   0.07   0.03     0.21   0.01  -0.00
    39   1    -0.16   0.04   0.04     0.28  -0.08  -0.07     0.25  -0.13  -0.09
    40   1    -0.03   0.16   0.08     0.14  -0.19  -0.10     0.16  -0.35  -0.18
    41  35     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    42   1    -0.14   0.06   0.06     0.23   0.02  -0.05     0.28   0.01  -0.07
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1549.6887              1557.1988              1588.0023
 Red. masses --      3.9321                 3.7726                 7.8670
 Frc consts  --      5.5637                 5.3899                11.6886
 IR Inten    --      4.6831                 2.1793                 0.4062
 RamAct Fr= 1--    123.2690                19.1051                26.3861
  Dep-P Fr= 1--      0.6141                 0.2400                 0.6985
  Dep-U Fr= 1--      0.7609                 0.3871                 0.8225
 Alpha2 Fr= 1--      0.3075                 0.2328                 0.0237
 Beta2  Fr= 1--     15.6329                 1.2326                 3.6170
 AlphaG Fr= 1--     -1.4765                -1.3153                 0.3132
 Gamma2 Fr= 1--   -516.9456               -58.3220               -29.7332
 Delta2 Fr= 1--    -69.3030                -8.2705                 2.2102
 Raman1 Fr= 1--     493.076                 76.420                105.545
 ROA1   Fr= 1--  -51844.475              -5863.570              -2783.661
 CID1   Fr= 1--    -105.145                -76.728                -26.374
 Raman2 Fr= 1--     187.594                 14.792                 43.404
 ROA2   Fr= 1--  -11852.270              -1333.564               -731.279
 CID2   Fr= 1--     -63.180                -90.156                -16.848
 Raman3 Fr= 1--     375.189                 29.583                 86.807
 ROA3   Fr= 1--  -51844.475              -5863.570              -2783.661
 CID3   Fr= 1--    -138.182               -198.205                -32.067
 RC180  Fr= 1--       0.522                 -0.226                  0.645
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.21   0.06   0.27     0.14   0.07   0.20    -0.12   0.08  -0.04
     2   6     0.00  -0.08  -0.07    -0.02  -0.05  -0.06    -0.09   0.08  -0.00
     3   6    -0.13   0.11  -0.01    -0.06   0.08   0.02     0.21  -0.13   0.05
     4   1     0.31  -0.11   0.15     0.11  -0.00   0.09    -0.33   0.13  -0.14
     5   6     0.09  -0.09  -0.00     0.07  -0.12  -0.04    -0.11   0.17   0.05
     6   1    -0.00   0.18   0.15    -0.07   0.25   0.15     0.02  -0.21  -0.15
     7   6    -0.07  -0.00  -0.06    -0.06   0.03  -0.03     0.06  -0.07  -0.01
     8   1     0.12   0.14   0.20     0.07   0.13   0.15     0.05  -0.09  -0.03
     9   6     0.02  -0.00   0.01     0.06   0.05   0.08    -0.10   0.14   0.02
    10   6     0.09   0.02   0.06    -0.02  -0.06  -0.05    -0.05  -0.05  -0.06
    11   6     0.04   0.05   0.08     0.03   0.00   0.04     0.04  -0.17  -0.09
    12   6    -0.03   0.06  -0.01    -0.05   0.05  -0.02     0.10   0.12   0.11
    13   6    -0.06  -0.03  -0.04     0.13  -0.09   0.03    -0.09  -0.12  -0.10
    14   6    -0.07  -0.00  -0.04    -0.08   0.07  -0.01     0.06   0.03   0.05
    15   6    -0.02  -0.09  -0.02    -0.03  -0.01  -0.00    -0.17   0.01  -0.06
    16   6     0.02   0.17   0.06     0.07  -0.12  -0.02     0.18   0.00   0.05
    17   6    -0.01  -0.13  -0.05     0.03   0.06   0.03    -0.07   0.01  -0.02
    18   6     0.07   0.02   0.04    -0.13   0.04  -0.04     0.10  -0.01   0.03
    19   6     0.05  -0.02  -0.01     0.07   0.02   0.00     0.15  -0.13  -0.02
    20   6     0.01   0.10   0.03    -0.13  -0.07  -0.03    -0.15   0.13   0.03
    21   6    -0.04  -0.00  -0.01     0.13   0.08   0.05     0.06  -0.02   0.00
    22   6     0.04  -0.11  -0.03    -0.08   0.04  -0.01    -0.06   0.04   0.00
    23   6    -0.03   0.08   0.03    -0.03   0.03   0.02    -0.01   0.18   0.07
    24   6     0.06  -0.05  -0.01     0.03   0.05   0.02     0.03  -0.05  -0.02
    25   6    -0.13   0.04   0.02     0.05  -0.02  -0.01    -0.03   0.05   0.02
    26   6     0.04  -0.09  -0.04    -0.07  -0.04  -0.00    -0.03  -0.18  -0.06
    27   6     0.02   0.02   0.01     0.01   0.05   0.02     0.00   0.08   0.03
    28   6    -0.02  -0.04  -0.01     0.03  -0.11  -0.05     0.01  -0.13  -0.06
    29   6     0.08   0.06   0.01     0.02   0.07   0.03     0.13   0.13   0.04
    30   6    -0.06  -0.04  -0.01     0.01  -0.03  -0.02    -0.11  -0.08  -0.01
    31   1    -0.05  -0.11  -0.10     0.15   0.07   0.13     0.03   0.03   0.03
    32   1     0.02  -0.06  -0.02     0.21  -0.06   0.08    -0.11   0.12  -0.00
    33   1    -0.12   0.24   0.07     0.10  -0.20  -0.04    -0.04  -0.10  -0.04
    34   1    -0.16   0.11  -0.01     0.30  -0.12   0.06    -0.07   0.04   0.01
    35   1     0.11   0.15   0.06    -0.21  -0.22  -0.12     0.06  -0.02  -0.01
    36   1    -0.08   0.28   0.09    -0.02  -0.19  -0.07    -0.03  -0.02  -0.03
    37   1     0.10  -0.01  -0.00    -0.13  -0.11  -0.04     0.00  -0.07  -0.01
    38   1     0.22  -0.04  -0.02    -0.16   0.02   0.02    -0.00   0.04   0.02
    39   1     0.01   0.02   0.00    -0.03   0.07   0.03     0.07   0.07   0.02
    40   1    -0.04   0.00   0.01    -0.07   0.18   0.09    -0.08   0.11   0.06
    41  35    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    42   1     0.05  -0.06  -0.03    -0.09  -0.02   0.01     0.12  -0.12  -0.08
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1615.0800              1636.6685              1643.3537
 Red. masses --      6.8499                 6.0285                 6.5238
 Frc consts  --     10.5274                 9.5143                10.3803
 IR Inten    --      2.4007                31.0050                 3.1039
 RamAct Fr= 1--    216.1728               142.8463               276.1997
  Dep-P Fr= 1--      0.7475                 0.5135                 0.4775
  Dep-U Fr= 1--      0.8555                 0.6786                 0.6464
 Alpha2 Fr= 1--      0.0092                 0.6614                 1.5093
 Beta2  Fr= 1--     30.8226                16.1548                29.7543
 AlphaG Fr= 1--     -0.0315                -0.1219                -7.1675
 Gamma2 Fr= 1--      4.1508              -130.7543              -123.7030
 Delta2 Fr= 1--    160.6670                44.8530                45.9580
 Raman1 Fr= 1--     864.691                571.385               1104.799
 ROA1   Fr= 1--    5539.821             -11117.116             -10404.836
 CID1   Fr= 1--       6.407                -19.456                 -9.418
 Raman2 Fr= 1--     369.871                193.857                357.052
 ROA2   Fr= 1--   -1185.716              -3496.928              -3336.537
 CID2   Fr= 1--      -3.206                -18.039                 -9.345
 Raman3 Fr= 1--     739.741                387.715                714.104
 ROA3   Fr= 1--    5539.821             -11117.116             -10404.836
 CID3   Fr= 1--       7.489                -28.673                -14.570
 RC180  Fr= 1--       0.711                  0.357                  0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.01  -0.11  -0.10     0.00   0.02   0.03    -0.02  -0.07  -0.09
     2   6     0.10  -0.04   0.05    -0.02   0.01  -0.01     0.06  -0.01   0.04
     3   6    -0.16   0.08  -0.05     0.02  -0.01   0.01    -0.07   0.04  -0.03
     4   1     0.20  -0.10   0.07    -0.02   0.01  -0.01     0.07  -0.03   0.02
     5   6     0.07  -0.11  -0.03    -0.01   0.02   0.01     0.03  -0.06  -0.02
     6   1    -0.01   0.10   0.08     0.01  -0.02  -0.01    -0.01   0.06   0.04
     7   6    -0.04   0.06   0.01     0.00  -0.01  -0.01    -0.02   0.04   0.01
     8   1    -0.06   0.05  -0.01     0.02  -0.00   0.01    -0.04   0.03  -0.01
     9   6     0.11  -0.11   0.01    -0.02   0.02  -0.00     0.09  -0.05   0.03
    10   6    -0.07   0.02  -0.03     0.03  -0.00   0.01    -0.13  -0.01  -0.09
    11   6    -0.10   0.13   0.01     0.03  -0.02   0.01    -0.09   0.06  -0.04
    12   6     0.04  -0.15  -0.03    -0.02   0.03  -0.01     0.10  -0.04   0.05
    13   6    -0.05   0.13   0.03     0.04  -0.03   0.01    -0.14   0.06  -0.05
    14   6     0.08  -0.05   0.02    -0.04   0.01  -0.01     0.17  -0.04   0.08
    15   6    -0.01   0.15   0.02     0.03  -0.01   0.01    -0.13  -0.02  -0.04
    16   6     0.02  -0.15  -0.04    -0.02  -0.01  -0.01     0.11   0.01   0.04
    17   6    -0.08   0.17   0.04     0.04  -0.04  -0.00    -0.12   0.14   0.01
    18   6     0.11  -0.12  -0.00    -0.06   0.04  -0.01     0.19  -0.11   0.03
    19   6    -0.00  -0.14  -0.02    -0.01   0.01   0.00     0.10   0.06   0.01
    20   6     0.01   0.13   0.04    -0.05  -0.02  -0.01    -0.14  -0.10  -0.04
    21   6    -0.06  -0.16  -0.07    -0.00  -0.05  -0.02     0.11   0.15   0.07
    22   6    -0.01   0.20   0.07     0.00   0.07   0.02    -0.05  -0.13  -0.06
    23   6     0.07   0.13   0.03     0.15  -0.08  -0.06    -0.06  -0.09  -0.02
    24   6    -0.09  -0.08  -0.03     0.11   0.07   0.02     0.20   0.12   0.04
    25   6     0.09   0.04   0.01    -0.05  -0.05  -0.02    -0.19  -0.05  -0.01
    26   6    -0.08  -0.12  -0.03    -0.19   0.06   0.05     0.05   0.08   0.02
    27   6     0.04   0.04   0.01     0.33  -0.11  -0.10     0.05  -0.05  -0.03
    28   6    -0.01  -0.07  -0.03    -0.20   0.14   0.09    -0.04   0.08   0.04
    29   6     0.11   0.09   0.02     0.19   0.04  -0.02    -0.02  -0.04  -0.02
    30   6    -0.13  -0.05   0.01    -0.28   0.01   0.06     0.03   0.03   0.00
    31   1     0.02   0.10   0.07    -0.00  -0.03  -0.02     0.05   0.15   0.12
    32   1    -0.08   0.03  -0.01     0.04  -0.02   0.01    -0.19   0.14  -0.02
    33   1     0.02  -0.23  -0.10     0.02   0.05   0.03    -0.05  -0.19  -0.10
    34   1    -0.21  -0.01  -0.09     0.09  -0.01   0.03    -0.25   0.03  -0.08
    35   1     0.22   0.08   0.07     0.05  -0.01   0.01    -0.20  -0.12  -0.08
    36   1     0.14  -0.23  -0.07     0.05  -0.09  -0.02    -0.13   0.12   0.02
    37   1     0.07   0.09   0.05    -0.10  -0.16  -0.06    -0.13  -0.24  -0.10
    38   1    -0.13   0.09   0.04    -0.04  -0.07  -0.02     0.17  -0.14  -0.06
    39   1    -0.00   0.05   0.02    -0.47  -0.01   0.06    -0.09  -0.04  -0.00
    40   1    -0.05   0.03   0.02    -0.07  -0.29  -0.12     0.01  -0.09  -0.04
    41  35    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1     0.17  -0.08  -0.08     0.34  -0.06  -0.12    -0.06   0.03   0.03
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1652.4178              1660.7254              1663.4565
 Red. masses --      5.4728                 6.1962                 6.2504
 Frc consts  --      8.8043                10.0687                10.1902
 IR Inten    --      1.5860                 0.5516                 1.1964
 RamAct Fr= 1--    287.6046               477.5937               109.4958
  Dep-P Fr= 1--      0.1434                 0.0684                 0.1235
  Dep-U Fr= 1--      0.2509                 0.1280                 0.2199
 Alpha2 Fr= 1--      4.5206                 9.0279                 1.8090
 Beta2  Fr= 1--     12.0251                10.1915                 4.0133
 AlphaG Fr= 1--    -22.4797               -69.4806               -18.1633
 Gamma2 Fr= 1--    -81.3272               136.3939                 9.8650
 Delta2 Fr= 1--    -35.5007               -71.9728               -10.4503
 Raman1 Fr= 1--    1150.418               1910.375                437.983
 ROA1   Fr= 1--   -8943.430              10790.680                612.635
 CID1   Fr= 1--      -7.774                  5.648                  1.399
 Raman2 Fr= 1--     144.301                122.297                 48.159
 ROA2   Fr= 1--   -1667.846               3849.235                320.363
 CID2   Fr= 1--     -11.558                 31.474                  6.652
 Raman3 Fr= 1--     288.602                244.595                 96.319
 ROA3   Fr= 1--   -8943.430              10790.680                612.635
 CID3   Fr= 1--     -30.989                 44.117                  6.361
 RC180  Fr= 1--      -0.498                 -0.744                 -0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.12   0.12   0.23     0.02   0.02   0.04     0.10   0.12   0.22
     2   6    -0.14  -0.07  -0.18    -0.02  -0.01  -0.03    -0.13  -0.04  -0.15
     3   6     0.12   0.03   0.13     0.02   0.00   0.02     0.13  -0.02   0.09
     4   1    -0.19   0.19   0.03    -0.02   0.02   0.00    -0.14   0.12   0.00
     5   6    -0.02  -0.19  -0.18    -0.00  -0.02  -0.02    -0.04  -0.04  -0.07
     6   1    -0.22   0.27   0.06    -0.03   0.03   0.00    -0.09   0.07  -0.02
     7   6     0.11   0.18   0.22     0.02   0.02   0.03     0.10   0.06   0.12
     8   1    -0.27  -0.08  -0.26    -0.04  -0.02  -0.04    -0.12  -0.10  -0.15
     9   6    -0.03  -0.08  -0.08    -0.01  -0.02  -0.02    -0.15  -0.04  -0.15
    10   6    -0.15  -0.01  -0.10     0.00   0.01   0.01     0.22   0.07   0.18
    11   6     0.01   0.09   0.08     0.00   0.01   0.01     0.10   0.04   0.12
    12   6     0.02   0.03   0.02     0.02  -0.01   0.01    -0.04  -0.10  -0.07
    13   6    -0.06  -0.03  -0.05    -0.05   0.03  -0.01     0.03   0.09   0.05
    14   6     0.19  -0.02   0.10     0.01  -0.01   0.00    -0.21   0.00  -0.12
    15   6     0.02  -0.01   0.00    -0.03  -0.06  -0.02    -0.04   0.06  -0.00
    16   6    -0.03   0.04   0.00     0.03   0.09   0.04     0.06  -0.09  -0.01
    17   6     0.07  -0.12  -0.02    -0.07   0.05  -0.00    -0.11   0.19   0.04
    18   6    -0.07   0.09   0.01     0.10  -0.06   0.01     0.15  -0.14  -0.00
    19   6    -0.00  -0.01  -0.00    -0.10   0.08   0.02     0.04  -0.02  -0.00
    20   6     0.01   0.02   0.01     0.09  -0.09  -0.02    -0.05  -0.01  -0.01
    21   6    -0.03  -0.04  -0.02     0.08   0.23   0.09     0.03   0.01   0.01
    22   6     0.02   0.03   0.01    -0.01  -0.27  -0.10    -0.03   0.02  -0.00
    23   6     0.00   0.01   0.00     0.11   0.02  -0.01    -0.03  -0.01   0.00
    24   6    -0.00  -0.01  -0.00    -0.26  -0.09  -0.03     0.07   0.03   0.01
    25   6    -0.00   0.00   0.00     0.31   0.03   0.00    -0.07  -0.01  -0.00
    26   6     0.00  -0.01  -0.00    -0.17  -0.03   0.01     0.03   0.01  -0.00
    27   6    -0.00   0.00   0.00     0.07   0.02  -0.00    -0.01  -0.01  -0.00
    28   6    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00     0.06   0.04   0.01    -0.01  -0.01  -0.00
    30   6    -0.01  -0.00   0.00    -0.10  -0.01   0.02     0.02   0.00  -0.00
    31   1     0.01   0.15   0.09    -0.02  -0.01  -0.02    -0.14  -0.25  -0.24
    32   1    -0.21   0.18  -0.01    -0.03   0.00  -0.01     0.18  -0.20  -0.01
    33   1     0.00   0.16   0.07    -0.05  -0.06  -0.04    -0.01  -0.24  -0.11
    34   1     0.11   0.03   0.06    -0.14   0.02  -0.05    -0.22  -0.02  -0.10
    35   1     0.06   0.03   0.02    -0.29  -0.08  -0.07    -0.02  -0.03  -0.01
    36   1     0.04  -0.02   0.00    -0.20   0.26   0.06    -0.01  -0.04  -0.02
    37   1     0.01   0.00   0.00     0.07   0.29   0.11    -0.03  -0.08  -0.03
    38   1     0.01  -0.00   0.00    -0.33   0.18   0.08     0.06  -0.04  -0.02
    39   1     0.00   0.00  -0.00    -0.08   0.04   0.02     0.01  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00    -0.03   0.01   0.01     0.01  -0.01  -0.01
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    42   1     0.01  -0.00  -0.00     0.13  -0.03  -0.05    -0.02   0.01   0.00
                    106                    107                    108
                      A                      A                      A
 Frequencies --   3165.5592              3166.3014              3167.6821
 Red. masses --      1.0859                 1.0860                 1.0862
 Frc consts  --      6.4115                 6.4148                 6.4218
 IR Inten    --      0.9142                 1.1105                 3.7845
 RamAct Fr= 1--     16.6634                13.1198                43.2899
  Dep-P Fr= 1--      0.5732                 0.4061                 0.7287
  Dep-U Fr= 1--      0.7287                 0.5776                 0.8431
 Alpha2 Fr= 1--      0.0555                 0.0951                 0.0158
 Beta2  Fr= 1--      2.0238                 1.2630                 6.0827
 AlphaG Fr= 1--      0.2387                 0.4345                -0.0242
 Gamma2 Fr= 1--      4.6488               -19.4573                35.6825
 Delta2 Fr= 1--      5.6036                 0.8250                22.5896
 Raman1 Fr= 1--      66.654                 52.479                173.159
 ROA1   Fr= 1--     625.603              -1841.499               4148.393
 CID1   Fr= 1--       9.386                -35.090                 23.957
 Raman2 Fr= 1--      24.286                 15.156                 72.993
 ROA2   Fr= 1--      66.744               -473.574                675.664
 CID2   Fr= 1--       2.748                -31.246                  9.257
 Raman3 Fr= 1--      48.571                 30.313                145.985
 ROA3   Fr= 1--     625.603              -1841.499               4148.393
 CID3   Fr= 1--      12.880                -60.750                 28.417
 RC180  Fr= 1--       0.457                  0.155                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.02  -0.03  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     4   1    -0.01  -0.05  -0.06    -0.00  -0.03  -0.03     0.02   0.12   0.13
     5   6    -0.01   0.00  -0.01    -0.01   0.00  -0.00     0.02  -0.00   0.02
     6   1     0.14  -0.00   0.11     0.07  -0.00   0.05    -0.26   0.01  -0.20
     7   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.03   0.03   0.00
     8   1    -0.21   0.25   0.02    -0.10   0.11   0.01     0.34  -0.39  -0.03
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.03   0.03   0.00    -0.01   0.01   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6    -0.01  -0.04  -0.03    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01     0.01   0.00   0.00    -0.03  -0.01  -0.01
    18   6     0.01   0.02   0.01    -0.00  -0.00  -0.00     0.01   0.03   0.02
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    22   6     0.01   0.00   0.00    -0.02  -0.00  -0.01     0.02   0.00   0.01
    23   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   6     0.01  -0.01  -0.00    -0.04   0.03   0.01    -0.02   0.01   0.00
    25   6     0.00   0.01   0.00    -0.01  -0.04  -0.01    -0.00  -0.02  -0.01
    26   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.01   0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.35  -0.39  -0.02     0.12  -0.13  -0.01    -0.03   0.03   0.00
    32   1     0.13   0.48   0.32     0.04   0.14   0.10     0.02   0.05   0.04
    33   1     0.24   0.03   0.09    -0.09  -0.01  -0.04     0.39   0.06   0.15
    34   1    -0.06  -0.26  -0.13     0.01   0.04   0.02    -0.08  -0.34  -0.18
    35   1     0.09  -0.09  -0.02    -0.24   0.24   0.05     0.12  -0.12  -0.02
    36   1    -0.14  -0.03  -0.04     0.29   0.07   0.09    -0.25  -0.06  -0.08
    37   1    -0.09   0.08   0.02     0.45  -0.39  -0.12     0.19  -0.17  -0.05
    38   1    -0.02  -0.09  -0.03     0.12   0.49   0.17     0.06   0.24   0.08
    39   1     0.01   0.03   0.01    -0.03  -0.14  -0.05    -0.02  -0.09  -0.03
    40   1    -0.01  -0.00   0.00     0.03   0.01  -0.00     0.02   0.01  -0.00
    41  35    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    109                    110                    111
                      A                      A                      A
 Frequencies --   3168.4523              3169.8262              3173.0178
 Red. masses --      1.0862                 1.0861                 1.0887
 Frc consts  --      6.4246                 6.4298                 6.4582
 IR Inten    --      0.7320                 0.2848                 6.9245
 RamAct Fr= 1--    143.5821                97.5553               132.1989
  Dep-P Fr= 1--      0.7229                 0.7497                 0.4780
  Dep-U Fr= 1--      0.8392                 0.8570                 0.6468
 Alpha2 Fr= 1--      0.0670                 0.0004                 0.7210
 Beta2  Fr= 1--     20.0812                13.9337                14.2508
 AlphaG Fr= 1--     -0.0178                -0.0011                 0.7446
 Gamma2 Fr= 1--     19.4087               -17.8054                -9.8204
 Delta2 Fr= 1--    -10.7095               -31.7780                -4.5333
 Raman1 Fr= 1--     574.328                390.221                528.796
 ROA1   Fr= 1--    1520.531              -2726.211              -1087.830
 CID1   Fr= 1--       2.647                 -6.986                 -2.057
 Raman2 Fr= 1--     240.975                167.205                171.010
 ROA2   Fr= 1--     551.485               -173.104               -199.424
 CID2   Fr= 1--       2.289                 -1.035                 -1.166
 Raman3 Fr= 1--     481.949                334.410                342.019
 ROA3   Fr= 1--    1520.531              -2726.211              -1087.830
 CID3   Fr= 1--       3.155                 -8.152                 -3.181
 RC180  Fr= 1--       0.678                  0.714                  0.294
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1    -0.02   0.03   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
     4   1    -0.02  -0.14  -0.14    -0.01  -0.04  -0.04    -0.00  -0.00  -0.00
     5   6    -0.02   0.00  -0.02    -0.01   0.00  -0.00     0.00  -0.00   0.00
     6   1     0.27  -0.01   0.21     0.07  -0.00   0.05    -0.00   0.00  -0.00
     7   6     0.03  -0.03  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.36   0.03    -0.06   0.07   0.01     0.00  -0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02  -0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.01   0.03   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6    -0.02  -0.00  -0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    18   6     0.00   0.01   0.00     0.01   0.03   0.02    -0.00  -0.00  -0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.02   0.02   0.00     0.03  -0.03  -0.00    -0.00   0.00   0.00
    22   6     0.03   0.01   0.01    -0.04  -0.01  -0.01     0.01   0.00   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   6    -0.01   0.01   0.00     0.01  -0.01  -0.00    -0.02   0.01   0.00
    25   6    -0.00  -0.02  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.02  -0.07  -0.03
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.02   0.01   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.19   0.21   0.01    -0.13   0.15   0.01     0.00  -0.00  -0.00
    32   1    -0.08  -0.31  -0.21    -0.04  -0.15  -0.10     0.00   0.00   0.00
    33   1     0.20   0.03   0.08     0.42   0.06   0.16    -0.01  -0.00  -0.00
    34   1    -0.03  -0.11  -0.06    -0.10  -0.41  -0.22     0.00   0.02   0.01
    35   1     0.21  -0.20  -0.04    -0.32   0.32   0.06     0.02  -0.02  -0.00
    36   1    -0.34  -0.08  -0.10     0.42   0.09   0.13    -0.07  -0.01  -0.02
    37   1     0.15  -0.13  -0.04    -0.09   0.08   0.02     0.18  -0.15  -0.05
    38   1     0.05   0.20   0.07    -0.04  -0.17  -0.06     0.01   0.06   0.02
    39   1    -0.02  -0.08  -0.03     0.02   0.10   0.04     0.19   0.86   0.31
    40   1     0.02   0.01  -0.00    -0.02  -0.01   0.00    -0.20  -0.07   0.00
    41  35     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    42   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.00
                    112                    113                    114
                      A                      A                      A
 Frequencies --   3178.9079              3184.1448              3184.8285
 Red. masses --      1.0897                 1.0960                 1.0958
 Frc consts  --      6.4881                 6.5472                 6.5484
 IR Inten    --      6.8123                 8.9981                 4.7436
 RamAct Fr= 1--    118.5088                93.2861               408.4716
  Dep-P Fr= 1--      0.7344                 0.7270                 0.5168
  Dep-U Fr= 1--      0.8469                 0.8419                 0.6814
 Alpha2 Fr= 1--      0.0316                 0.0369                 1.8611
 Beta2  Fr= 1--     16.7268                13.0897                46.3886
 AlphaG Fr= 1--      0.5533                 0.1183                 2.5945
 Gamma2 Fr= 1--    -26.9538               -59.1940                48.3281
 Delta2 Fr= 1--     11.7889               -39.8478               -30.8848
 Raman1 Fr= 1--     474.035                373.144               1633.886
 ROA1   Fr= 1--   -2210.326              -6957.755               3651.183
 CID1   Fr= 1--      -4.663                -18.646                  2.235
 Raman2 Fr= 1--     200.721                157.076                556.663
 ROA2   Fr= 1--    -741.203              -1101.874               1406.952
 CID2   Fr= 1--      -3.693                 -7.015                  2.527
 Raman3 Fr= 1--     401.443                314.153               1113.326
 ROA3   Fr= 1--   -2210.326              -6957.755               3651.183
 CID3   Fr= 1--      -5.506                -22.148                  3.280
 RC180  Fr= 1--       0.694                  0.684                  0.363
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.09  -0.10  -0.02     0.01  -0.01  -0.00    -0.01   0.01   0.00
     2   6    -0.01   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01  -0.05  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   1     0.07   0.54   0.56     0.01   0.05   0.05    -0.01  -0.04  -0.04
     5   6     0.02   0.00   0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   1    -0.25   0.00  -0.20     0.02  -0.00   0.01    -0.02   0.00  -0.02
     7   6     0.03  -0.03  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1    -0.31   0.37   0.03    -0.05   0.06   0.00     0.04  -0.04  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.03  -0.03  -0.00    -0.03   0.03  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00   0.01   0.01    -0.01  -0.03  -0.02     0.01   0.03   0.02
    15   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.03   0.00   0.01    -0.01  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.01    -0.00  -0.00  -0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    21   6     0.00  -0.00  -0.00    -0.02   0.02   0.00    -0.02   0.02   0.00
    22   6     0.00   0.00   0.00    -0.02  -0.01  -0.01    -0.03  -0.01  -0.01
    23   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    24   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.03  -0.02  -0.01
    25   6     0.00   0.00   0.00    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01
    26   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    27   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    28   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.03  -0.04  -0.00    -0.33   0.37   0.01     0.29  -0.33  -0.01
    32   1    -0.03  -0.10  -0.07     0.09   0.31   0.21    -0.08  -0.30  -0.20
    33   1     0.03   0.00   0.01    -0.34  -0.05  -0.13     0.12   0.02   0.05
    34   1     0.00   0.00   0.00    -0.07  -0.31  -0.16     0.01   0.04   0.02
    35   1    -0.01   0.01   0.00     0.22  -0.23  -0.04     0.18  -0.18  -0.03
    36   1    -0.00  -0.00  -0.00     0.26   0.06   0.08     0.29   0.07   0.09
    37   1     0.00  -0.00  -0.00    -0.17   0.14   0.04    -0.33   0.27   0.08
    38   1    -0.00  -0.00  -0.00     0.07   0.28   0.10     0.12   0.49   0.17
    39   1     0.00   0.00   0.00     0.01   0.05   0.02     0.02   0.08   0.03
    40   1    -0.00  -0.00  -0.00    -0.02  -0.01   0.00    -0.03  -0.01   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3186.2391              3187.6641              3193.9840
 Red. masses --      1.0955                 1.0952                 1.0954
 Frc consts  --      6.5527                 6.5569                 6.5842
 IR Inten    --     55.2162                34.3874                20.1074
 RamAct Fr= 1--    117.1049               788.6126               328.6222
  Dep-P Fr= 1--      0.7500                 0.1164                 0.1667
  Dep-U Fr= 1--      0.8571                 0.2085                 0.2858
 Alpha2 Fr= 1--      0.0000                13.2610                 4.8676
 Beta2  Fr= 1--     16.7292                27.4097                15.6546
 AlphaG Fr= 1--      0.0015                21.3885                -7.1046
 Gamma2 Fr= 1--     78.8129               -79.8581               -25.3461
 Delta2 Fr= 1--     -3.6759               129.3742               -20.2222
 Raman1 Fr= 1--     468.420               3154.450               1314.489
 ROA1   Fr= 1--    7448.413              -3526.401              -3080.341
 CID1   Fr= 1--      15.901                 -1.118                 -2.343
 Raman2 Fr= 1--     200.751                328.917                187.855
 ROA2   Fr= 1--    1920.918              -2951.588               -446.530
 CID2   Fr= 1--       9.569                 -8.974                 -2.377
 Raman3 Fr= 1--     401.501                657.834                375.711
 ROA3   Fr= 1--    7448.413              -3526.401              -3080.341
 CID3   Fr= 1--      18.551                 -5.361                 -8.199
 RC180  Fr= 1--       0.714                 -0.583                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.10  -0.11  -0.02
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03
     4   1     0.00   0.03   0.03     0.00   0.02   0.02     0.04   0.34   0.35
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.06   0.00  -0.04
     6   1     0.02  -0.00   0.01     0.02  -0.00   0.02     0.62  -0.01   0.48
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     8   1    -0.02   0.03   0.00    -0.01   0.01   0.00     0.21  -0.25  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    14   6    -0.01  -0.02  -0.02    -0.00  -0.01  -0.01     0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    17   6    -0.03  -0.00  -0.01    -0.04  -0.00  -0.01     0.00   0.00   0.00
    18   6    -0.01  -0.04  -0.02    -0.01  -0.03  -0.02     0.00   0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.02  -0.02  -0.00    -0.03   0.03   0.01     0.00  -0.00  -0.00
    22   6     0.02   0.01   0.01    -0.04  -0.01  -0.01     0.00   0.00   0.00
    23   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   6     0.03  -0.02  -0.01    -0.02   0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.01  -0.03  -0.01     0.01   0.02   0.01    -0.00  -0.00  -0.00
    26   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    27   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    30   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    31   1    -0.21   0.23   0.01    -0.10   0.11   0.00     0.04  -0.04  -0.00
    32   1     0.07   0.26   0.17     0.04   0.14   0.10    -0.01  -0.02  -0.02
    33   1     0.34   0.05   0.13     0.41   0.06   0.16    -0.01  -0.00  -0.00
    34   1     0.09   0.39   0.20     0.09   0.37   0.19    -0.00  -0.01  -0.00
    35   1    -0.25   0.25   0.05     0.34  -0.34  -0.06    -0.00   0.00   0.00
    36   1    -0.23  -0.05  -0.07     0.44   0.10   0.13    -0.01  -0.00  -0.00
    37   1    -0.27   0.23   0.07     0.18  -0.15  -0.05    -0.00   0.00   0.00
    38   1     0.08   0.34   0.12    -0.05  -0.19  -0.07     0.00   0.00   0.00
    39   1     0.01   0.05   0.02    -0.01  -0.03  -0.01     0.00   0.00   0.00
    40   1    -0.02  -0.01   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    41  35    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    42   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3208.9818              3223.4960              3242.0132
 Red. masses --      1.0937                 1.0915                 1.0902
 Frc consts  --      6.6355                 6.6821                 6.7511
 IR Inten    --      3.0703                 3.3139                 0.7994
 RamAct Fr= 1--    183.2243                29.7111                11.8935
  Dep-P Fr= 1--      0.2537                 0.0659                 0.1432
  Dep-U Fr= 1--      0.4048                 0.1237                 0.2505
 Alpha2 Fr= 1--      2.1489                 0.5650                 0.1871
 Beta2  Fr= 1--     12.3605                 0.6123                 0.4966
 AlphaG Fr= 1--     -0.1201                 0.8264                 1.4353
 Gamma2 Fr= 1--     -5.3810                -6.9987                 2.2315
 Delta2 Fr= 1--     -6.2934                 1.9839                 2.0988
 Raman1 Fr= 1--     732.897                118.844                 47.574
 ROA1   Fr= 1--    -717.959               -608.392                281.385
 CID1   Fr= 1--      -0.980                 -5.119                  5.915
 Raman2 Fr= 1--     148.325                  7.348                  5.959
 ROA2   Fr= 1--     -78.796               -183.840                 36.766
 CID2   Fr= 1--      -0.531                -25.019                  6.170
 Raman3 Fr= 1--     296.651                 14.696                 11.918
 ROA3   Fr= 1--    -717.959               -608.392                281.385
 CID3   Fr= 1--      -2.420                -41.398                 23.609
 RC180  Fr= 1--      -0.190                 -0.753                 -0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   1     0.00  -0.00  -0.00    -0.66   0.71   0.09    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.06  -0.06  -0.01     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.00  -0.00  -0.00
     4   1     0.00   0.00   0.00     0.02   0.14   0.15     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00  -0.00   0.00     0.04  -0.00   0.03    -0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.08  -0.03   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.08  -0.03
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    38   1     0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    39   1     0.04   0.20   0.07    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    40   1     0.92   0.32  -0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    41  35     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    42   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.20   0.90   0.38

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  1 and mass   1.00783
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number 35 and mass  78.91834
 Atom    42 has atomic number  1 and mass   1.00783
 Molecular mass:   406.03571 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  8249.80459********************
           X            0.99894  -0.02304   0.03991
           Y            0.02242   0.99962   0.01579
           Z           -0.04026  -0.01488   0.99908
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01050     0.00804     0.00584
 Rotational constants (GHZ):           0.21876     0.16762     0.12163
 Zero-point vibrational energy     850985.4 (Joules/Mol)
                                  203.39040 (Kcal/Mol)
 Warning -- explicit consideration of  31 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.91    71.26    79.14   122.66   135.64
          (Kelvin)            152.30   191.26   246.95   278.32   330.20
                              376.11   392.30   401.04   417.21   461.66
                              485.64   549.15   598.09   617.63   630.12
                              638.40   642.14   696.80   712.37   751.42
                              759.38   776.60   783.75   827.73   846.15
                              880.71   903.42   923.39   937.14   982.89
                              997.38  1018.11  1031.04  1087.76  1093.57
                             1100.54  1118.49  1126.88  1144.46  1172.96
                             1193.66  1207.06  1223.29  1230.64  1232.28
                             1245.93  1277.66  1336.29  1345.75  1350.73
                             1367.93  1371.09  1376.53  1383.23  1390.98
                             1394.33  1427.86  1461.96  1529.53  1546.24
                             1590.59  1617.85  1650.75  1684.13  1686.25
                             1700.37  1702.28  1709.63  1742.00  1754.63
                             1771.15  1784.08  1794.78  1801.34  1847.55
                             1872.60  1901.76  1960.45  1963.22  1983.05
                             1996.15  2003.39  2017.96  2052.18  2058.29
                             2096.83  2105.42  2124.33  2173.41  2180.53
                             2211.87  2229.66  2240.46  2284.78  2323.74
                             2354.80  2364.42  2377.46  2389.41  2393.34
                             4554.53  4555.60  4557.59  4558.70  4560.67
                             4565.26  4573.74  4581.27  4582.26  4584.29
                             4586.34  4595.43  4617.01  4637.89  4664.53
 
 Zero-point correction=                           0.324123 (Hartree/Particle)
 Thermal correction to Energy=                    0.342981
 Thermal correction to Enthalpy=                  0.343925
 Thermal correction to Gibbs Free Energy=         0.276791
 Sum of electronic and zero-point Energies=          -3574.171456
 Sum of electronic and thermal Energies=             -3574.152598
 Sum of electronic and thermal Enthalpies=           -3574.151654
 Sum of electronic and thermal Free Energies=        -3574.218788
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  215.224             79.570            141.295
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             43.895
 Rotational               0.889              2.981             35.531
 Vibrational            213.446             73.609             61.869
 Vibration     1          0.594              1.983              5.751
 Vibration     2          0.595              1.978              4.836
 Vibration     3          0.596              1.976              4.629
 Vibration     4          0.601              1.959              3.766
 Vibration     5          0.603              1.953              3.569
 Vibration     6          0.605              1.945              3.344
 Vibration     7          0.613              1.920              2.903
 Vibration     8          0.626              1.877              2.417
 Vibration     9          0.635              1.849              2.195
 Vibration    10          0.652              1.796              1.883
 Vibration    11          0.669              1.743              1.652
 Vibration    12          0.676              1.724              1.579
 Vibration    13          0.679              1.713              1.541
 Vibration    14          0.686              1.692              1.474
 Vibration    15          0.706              1.634              1.306
 Vibration    16          0.718              1.601              1.224
 Vibration    17          0.751              1.509              1.033
 Vibration    18          0.779              1.436              0.907
 Vibration    19          0.791              1.407              0.861
 Vibration    20          0.798              1.387              0.833
 Vibration    21          0.803              1.375              0.815
 Vibration    22          0.806              1.369              0.807
 Vibration    23          0.840              1.285              0.699
 Vibration    24          0.851              1.261              0.670
 Vibration    25          0.877              1.201              0.605
 Vibration    26          0.883              1.188              0.592
 Vibration    27          0.895              1.162              0.566
 Vibration    28          0.900              1.151              0.555
 Vibration    29          0.932              1.085              0.494
 Vibration    30          0.945              1.057              0.471
 Vibration    31          0.971              1.006              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.484223-127       -127.314955       -293.153517
 Total V=0       0.590543D+22         21.771252         50.130160
 Vib (Bot)       0.115866-142       -142.936043       -329.122402
 Vib (Bot)    1  0.663183D+01          0.821633          1.891881
 Vib (Bot)    2  0.417377D+01          0.620528          1.428819
 Vib (Bot)    3  0.375639D+01          0.574771          1.323459
 Vib (Bot)    4  0.241366D+01          0.382677          0.881146
 Vib (Bot)    5  0.217931D+01          0.338319          0.779008
 Vib (Bot)    6  0.193649D+01          0.287015          0.660876
 Vib (Bot)    7  0.153246D+01          0.185388          0.426872
 Vib (Bot)    8  0.117349D+01          0.069480          0.159985
 Vib (Bot)    9  0.103331D+01          0.014232          0.032770
 Vib (Bot)   10  0.858392D+00         -0.066314         -0.152694
 Vib (Bot)   11  0.742507D+00         -0.129299         -0.297722
 Vib (Bot)   12  0.707823D+00         -0.150075         -0.345561
 Vib (Bot)   13  0.690209D+00         -0.161019         -0.370760
 Vib (Bot)   14  0.659493D+00         -0.180790         -0.416283
 Vib (Bot)   15  0.585542D+00         -0.232442         -0.535217
 Vib (Bot)   16  0.550973D+00         -0.258870         -0.596070
 Vib (Bot)   17  0.473159D+00         -0.324993         -0.748324
 Vib (Bot)   18  0.423786D+00         -0.372854         -0.858527
 Vib (Bot)   19  0.406123D+00         -0.391342         -0.901099
 Vib (Bot)   20  0.395366D+00         -0.403000         -0.927942
 Vib (Bot)   21  0.388450D+00         -0.410665         -0.945592
 Vib (Bot)   22  0.385378D+00         -0.414113         -0.953530
 Vib (Bot)   23  0.344058D+00         -0.463369         -1.066945
 Vib (Bot)   24  0.333380D+00         -0.477060         -1.098472
 Vib (Bot)   25  0.308424D+00         -0.510852         -1.176281
 Vib (Bot)   26  0.303637D+00         -0.517646         -1.191924
 Vib (Bot)   27  0.293590D+00         -0.532258         -1.225570
 Vib (Bot)   28  0.289545D+00         -0.538284         -1.239445
 Vib (Bot)   29  0.266117D+00         -0.574927         -1.323818
 Vib (Bot)   30  0.256999D+00         -0.590069         -1.358684
 Vib (Bot)   31  0.240889D+00         -0.618183         -1.423419
 Vib (V=0)       0.141307D+07          6.150163         14.161275
 Vib (V=0)    1  0.715065D+01          0.854346          1.967203
 Vib (V=0)    2  0.470361D+01          0.672431          1.548330
 Vib (V=0)    3  0.428952D+01          0.632409          1.456175
 Vib (V=0)    4  0.296491D+01          0.472011          1.086846
 Vib (V=0)    5  0.273593D+01          0.437105          1.006472
 Vib (V=0)    6  0.250000D+01          0.397939          0.916289
 Vib (V=0)    7  0.211196D+01          0.324686          0.747618
 Vib (V=0)    8  0.177557D+01          0.249338          0.574123
 Vib (V=0)    9  0.164793D+01          0.216938          0.499518
 Vib (V=0)   10  0.149340D+01          0.174175          0.401053
 Vib (V=0)   11  0.139516D+01          0.144625          0.333011
 Vib (V=0)   12  0.136661D+01          0.135645          0.312334
 Vib (V=0)   13  0.135228D+01          0.131068          0.301795
 Vib (V=0)   14  0.132761D+01          0.123069          0.283377
 Vib (V=0)   15  0.126997D+01          0.103795          0.238996
 Vib (V=0)   16  0.124402D+01          0.094829          0.218351
 Vib (V=0)   17  0.118839D+01          0.074959          0.172599
 Vib (V=0)   18  0.115543D+01          0.062745          0.144476
 Vib (V=0)   19  0.114416D+01          0.058485          0.134667
 Vib (V=0)   20  0.113743D+01          0.055924          0.128770
 Vib (V=0)   21  0.113316D+01          0.054292          0.125011
 Vib (V=0)   22  0.113128D+01          0.053571          0.123351
 Vib (V=0)   23  0.110694D+01          0.044124          0.101599
 Vib (V=0)   24  0.110095D+01          0.041768          0.096175
 Vib (V=0)   25  0.108747D+01          0.036419          0.083857
 Vib (V=0)   26  0.108497D+01          0.035420          0.081556
 Vib (V=0)   27  0.107982D+01          0.033353          0.076798
 Vib (V=0)   28  0.107779D+01          0.032532          0.074909
 Vib (V=0)   29  0.106641D+01          0.027924          0.064296
 Vib (V=0)   30  0.106218D+01          0.026199          0.060325
 Vib (V=0)   31  0.105500D+01          0.023253          0.053543
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.321588D+09          8.507300         19.588783
 Rotational      0.129953D+08          7.113788         16.380102
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        1           0.000000727    0.000004053    0.000006644
      2        6           0.000003065   -0.000008672   -0.000011693
      3        6           0.000005941    0.000006058    0.000003857
      4        1           0.000003250   -0.000000312   -0.000001210
      5        6          -0.000001420    0.000009196    0.000008936
      6        1          -0.000001643   -0.000001817   -0.000002251
      7        6          -0.000003939    0.000008091   -0.000004810
      8        1           0.000002058    0.000003161    0.000000564
      9        6          -0.000015950   -0.000009385   -0.000001549
     10        6           0.000005293    0.000009405    0.000000391
     11        6           0.000009584   -0.000040956   -0.000007620
     12        6          -0.000016518    0.000008065    0.000010697
     13        6           0.000006271   -0.000004800    0.000006807
     14        6          -0.000007262   -0.000001457   -0.000010258
     15        6           0.000018885    0.000010771   -0.000000638
     16        6          -0.000013956    0.000003841    0.000000905
     17        6           0.000003065    0.000001092   -0.000006770
     18        6           0.000003315   -0.000006214    0.000010773
     19        6           0.000011601   -0.000001173   -0.000010189
     20        6          -0.000004594    0.000003861   -0.000004920
     21        6          -0.000010091   -0.000010591   -0.000000566
     22        6           0.000007979    0.000001826    0.000003474
     23        6           0.000005067    0.000001723   -0.000003205
     24        6          -0.000007370   -0.000004068    0.000003561
     25        6           0.000001717   -0.000001736    0.000001556
     26        6          -0.000010810   -0.000002813   -0.000003404
     27        6           0.000000015   -0.000004054   -0.000010698
     28        6          -0.000000874    0.000010449    0.000010827
     29        6           0.000003989   -0.000008066    0.000003091
     30        6           0.000000766    0.000004473    0.000020881
     31        1          -0.000002690   -0.000000595   -0.000000621
     32        1          -0.000002149   -0.000000099    0.000001827
     33        1          -0.000001215   -0.000001056   -0.000000142
     34        1          -0.000001101   -0.000000943   -0.000000714
     35        1           0.000000024   -0.000000617    0.000000755
     36        1           0.000000671    0.000001377   -0.000000171
     37        1           0.000002346   -0.000000317    0.000000985
     38        1           0.000002311   -0.000002531    0.000000409
     39        1           0.000000778   -0.000001359   -0.000000012
     40        1           0.000001457   -0.000001965    0.000000314
     41       35          -0.000008002   -0.000010758   -0.000003298
     42        1           0.000009405    0.000038910   -0.000012513
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040956 RMS     0.000008145
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.466503D+03 -0.185640D+02  0.493160D+02
      2  -0.185640D+02  0.435059D+03  0.421400D+02
      3   0.493160D+02  0.421400D+02  0.245998D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.224395D+03 -0.676366D+02  0.167450D+03
      2  -0.121884D+03 -0.944223D+02 -0.424365D+02
      3   0.163192D+03  0.807681D+03 -0.288668D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.705953D+03  0.704071D+02 -0.342034D+03
      2   0.233438D+03  0.160263D+02 -0.153138D+02
      3   0.472516D+03 -0.864334D+02  0.357348D+03
      4   0.121218D+03 -0.376258D+03 -0.344453D+03
      5  -0.151631D+03 -0.234833D+03  0.772531D+02
      6  -0.327528D+03  0.112835D+03 -0.189697D+03
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.117831D+01  0.122370D+01 -0.992171D-02  0.666248D+00 -0.735336D+00
      2   0.122370D+01 -0.181717D+01  0.380482D+00 -0.735336D+00  0.184732D+01
      3  -0.992171D-02  0.380482D+00 -0.994646D+00 -0.537203D+00  0.299372D+00
                 6             7             8             9            10 
      1  -0.537203D+00 -0.325532D+00 -0.188685D+00 -0.464142D+00 -0.372124D+01
      2   0.299372D+00 -0.188685D+00 -0.644426D+00  0.728966D+00  0.123810D+01
      3   0.116226D+01 -0.464142D+00  0.728966D+00  0.387392D+00 -0.249782D+01
                11            12            13            14            15 
      1   0.123810D+01 -0.249782D+01 -0.247970D+01  0.607379D+00 -0.166440D+01
      2  -0.122084D+01 -0.945295D+00  0.607379D+00  0.181668D+00 -0.113575D+01
      3  -0.945295D+00 -0.793122D+01 -0.166440D+01 -0.113575D+01 -0.178726D+01
                16            17            18            19            20 
      1  -0.398256D+01  0.821272D+00 -0.527189D+01  0.490457D+01 -0.162500D+01
      2   0.821272D+00 -0.649611D+01  0.179358D+01 -0.162500D+01  0.514261D+01
      3  -0.527189D+01  0.179358D+01 -0.660562D+01  0.234076D+01 -0.563371D+00
                21            22            23            24            25 
      1   0.234076D+01  0.332819D+01  0.134662D+01  0.320667D+01  0.380069D+01
      2  -0.563371D+00  0.134662D+01 -0.113749D+01  0.480849D+00 -0.191055D+01
      3  -0.138705D+00  0.320667D+01  0.480849D+00  0.999193D+00  0.417535D+01
                26            27            28            29            30 
      1  -0.191055D+01  0.417535D+01  0.843333D+00  0.266045D+00  0.149085D+01
      2   0.206758D+01 -0.283642D+01  0.266045D+00  0.226373D+00 -0.355485D-02
      3  -0.283642D+01  0.114569D+02  0.149085D+01 -0.355485D-02  0.191347D+01
                31            32            33            34            35 
      1   0.273952D+00  0.879455D+00  0.126518D+01  0.143232D+01  0.113903D+01
      2   0.879455D+00  0.195550D+01  0.287921D+01  0.113903D+01  0.168007D+01
      3   0.126518D+01  0.287921D+01  0.596246D+01  0.213805D+01  0.314585D+01
                36            37            38            39            40 
      1   0.213805D+01  0.556730D+01  0.484731D+00  0.276802D+01  0.781158D+01
      2   0.314585D+01  0.484731D+00  0.216644D+01  0.111804D+01 -0.220575D+01
      3   0.664794D+01  0.276802D+01  0.111804D+01  0.314241D+01  0.228806D+01
                41            42            43            44            45 
      1  -0.220575D+01  0.228806D+01  0.554806D+01 -0.456424D+01  0.606006D+01
      2   0.430921D+01 -0.682718D+00 -0.456424D+01  0.648812D+01 -0.414503D+01
      3  -0.682718D+00 -0.155225D+01  0.606006D+01 -0.414503D+01  0.107381D+02
                46            47            48            49            50 
      1   0.843572D+01 -0.164213D+01  0.650009D+01 -0.736615D+00  0.935284D+00
      2  -0.164213D+01  0.742519D+00 -0.152075D+01  0.935284D+00 -0.258846D+00
      3   0.650009D+01 -0.152075D+01  0.606023D+01  0.138083D+00  0.701497D+00
                51            52            53            54            55 
      1   0.138083D+00  0.567676D+01 -0.521191D+00  0.506360D+01 -0.125283D+01
      2   0.701497D+00 -0.521191D+00  0.252820D+00 -0.527179D+00  0.143370D+01
      3   0.100176D+01  0.506360D+01 -0.527179D+00  0.517722D+01 -0.356604D+01
                56            57            58            59            60 
      1   0.143370D+01 -0.356604D+01 -0.569608D+01  0.167512D+01 -0.623643D+01
      2  -0.313609D+01  0.205223D+01  0.167512D+01 -0.520403D+01  0.390821D+01
      3   0.205223D+01 -0.236867D+01 -0.623643D+01  0.390821D+01 -0.672423D+01
                61            62            63            64            65 
      1  -0.112458D+02  0.254261D+01 -0.649384D+01  0.540849D+01 -0.463973D+01
      2   0.254261D+01 -0.194363D+01  0.110989D+01 -0.463973D+01  0.461441D+01
      3  -0.649384D+01  0.110989D+01 -0.676081D+01  0.118062D+01 -0.121647D+01
                66            67            68            69            70 
      1   0.118062D+01 -0.483562D+01  0.483962D+01 -0.505754D+00  0.455029D+00
      2  -0.121647D+01  0.483962D+01 -0.585775D+01  0.820645D+00  0.746342D-01
      3   0.752618D+00 -0.505754D+00  0.820645D+00 -0.455330D+00  0.544300D+00
                71            72            73            74            75 
      1   0.746342D-01  0.544300D+00  0.130400D+02 -0.448001D+01  0.118095D+02
      2  -0.637305D+00 -0.633779D+00 -0.448001D+01  0.472402D+01 -0.292010D+01
      3  -0.633779D+00  0.124083D+00  0.118095D+02 -0.292010D+01  0.118496D+02
                76            77            78            79            80 
      1  -0.164952D+02  0.643933D+01 -0.192254D+02 -0.166607D+01  0.771937D+00
      2   0.643933D+01 -0.753446D+01  0.316430D+01  0.771937D+00  0.687105D+00
      3  -0.192254D+02  0.316430D+01 -0.221423D+02 -0.197997D+01 -0.120260D+01
                81            82            83            84            85 
      1  -0.197997D+01  0.186096D+02 -0.138595D+02  0.110055D+02  0.711457D+01
      2  -0.120260D+01 -0.138595D+02  0.256403D+02 -0.385763D+01 -0.310011D+01
      3  -0.499860D+01  0.110055D+02 -0.385763D+01  0.127878D+02  0.599140D+01
                86            87            88            89            90 
      1  -0.310011D+01  0.599140D+01  0.110256D+02 -0.856379D+01  0.137791D+02
      2  -0.109196D+01  0.613304D+00 -0.856379D+01  0.207444D+02 -0.766589D+01
      3   0.613304D+00  0.699548D+01  0.137791D+02 -0.766589D+01  0.148043D+02
                91            92            93            94            95 
      1  -0.226897D+02  0.590354D+01 -0.194700D+02  0.918288D+01 -0.226020D+01
      2   0.590354D+01 -0.862614D+01  0.353290D+01 -0.226020D+01  0.449179D+01
      3  -0.194700D+02  0.353290D+01 -0.198522D+02  0.127077D+02 -0.615208D+00
                96            97            98            99           100 
      1   0.127077D+02 -0.357616D+01  0.195866D+01 -0.364788D+01  0.102074D+02
      2  -0.615208D+00  0.195866D+01  0.120396D+01  0.188548D+01  0.214719D+01
      3   0.148338D+02 -0.364788D+01  0.188548D+01 -0.304284D+01  0.978259D+01
               101           102           103           104           105 
      1   0.214719D+01  0.978259D+01  0.268393D+02 -0.246790D+02  0.167285D+02
      2  -0.597593D+01 -0.318125D+00 -0.246790D+02  0.487676D+02 -0.118999D+02
      3  -0.318125D+00  0.943940D+01  0.167285D+02 -0.118999D+02  0.113372D+02
               106           107           108           109           110 
      1   0.190568D+02 -0.102290D+02  0.141857D+02 -0.614504D+01 -0.466573D+01
      2  -0.102290D+02  0.222064D+02 -0.559644D+01 -0.466573D+01  0.904468D+01
      3   0.141857D+02 -0.559644D+01  0.127962D+02 -0.768013D+01  0.853419D+00
               111           112           113           114           115 
      1  -0.768013D+01 -0.297112D+02  0.281494D+02 -0.196380D+02 -0.146572D+02
      2   0.853419D+00  0.281494D+02 -0.591885D+02  0.158497D+02  0.100528D+02
      3  -0.614324D+01 -0.196380D+02  0.158497D+02 -0.136750D+02 -0.121196D+02
               116           117           118           119           120 
      1   0.100528D+02 -0.121196D+02 -0.229729D+02  0.223877D+02 -0.135258D+02
      2  -0.184557D+02  0.480472D+01  0.223877D+02 -0.442950D+02  0.121403D+02
      3   0.480472D+01 -0.113599D+02 -0.135258D+02  0.121403D+02 -0.101554D+02
               121           122           123           124           125 
      1   0.683460D+01 -0.130106D+02  0.461997D+01 -0.992316D+01  0.109720D+02
      2  -0.130106D+02  0.199221D+02 -0.601707D+01  0.109720D+02 -0.171452D+02
      3   0.461997D+01 -0.601707D+01  0.378602D+01 -0.737525D+01  0.350373D+01
               126           127           128           129           130 
      1  -0.737525D+01  0.234926D+02 -0.104448D+02  0.792564D+01  0.303596D+01
      2   0.350373D+01 -0.104448D+02  0.786212D+02 -0.883827D+01  0.168971D+02
      3  -0.121985D+02  0.792564D+01 -0.883827D+01  0.343003D+01 -0.104853D+01
               131           132           133           134           135 
      1   0.168971D+02 -0.104853D+01  0.788868D+01  0.256755D+01  0.115799D+01
      2   0.198847D+02  0.405727D+01  0.256755D+01  0.286075D+02 -0.116127D+01
      3   0.405727D+01  0.223662D+00  0.115799D+01 -0.116127D+01  0.377442D+00
               136           137           138           139           140 
      1  -0.243747D+02  0.746218D+01 -0.730460D+01 -0.246645D+01 -0.110330D+02
      2   0.746218D+01 -0.794327D+02  0.106362D+02 -0.110330D+02 -0.165273D+02
      3  -0.730460D+01  0.106362D+02 -0.310219D+01 -0.129299D+00 -0.140993D+01
               141           142           143           144           145 
      1  -0.129299D+00 -0.623357D+01  0.569872D+00 -0.466912D+01 -0.120942D+02
      2  -0.140993D+01  0.569872D+00 -0.274922D+02  0.276138D+01 -0.517308D+00
      3  -0.317884D+00 -0.466912D+01  0.276138D+01 -0.251705D+01 -0.592307D+01
               146           147           148           149           150 
      1  -0.517308D+00 -0.592307D+01  0.137790D+02  0.316084D+01  0.101579D+02
      2  -0.166434D+02  0.318686D+00  0.316084D+01  0.445976D+02 -0.402248D+01
      3   0.318686D+00 -0.561510D+01  0.101579D+02 -0.402248D+01  0.836139D+01
               151           152           153           154           155 
      1   0.325607D+01  0.308059D+01 -0.335126D+01  0.170635D+02 -0.339770D+01
      2   0.308059D+01  0.625429D+01 -0.146661D+00 -0.339770D+01  0.204266D+02
      3  -0.335126D+01 -0.146661D+00 -0.460808D+01  0.138853D+02 -0.372268D+01
               156           157           158           159           160 
      1   0.138853D+02 -0.156269D+02 -0.286969D+01 -0.698616D+01  0.304402D+01
      2  -0.372268D+01 -0.286969D+01 -0.277863D+02  0.372481D+01 -0.739919D+00
      3   0.118206D+02 -0.698616D+01  0.372481D+01 -0.506936D+01  0.267967D+01
               161           162           163           164           165 
      1  -0.739919D+00  0.267967D+01  0.355679D+02  0.202599D+02 -0.227303D+01
      2   0.290225D+01 -0.600944D+01  0.202599D+02  0.381651D+02 -0.219712D+01
      3  -0.600944D+01 -0.235354D+00 -0.227303D+01 -0.219712D+01  0.795370D+00
               166           167           168           169           170 
      1  -0.203739D+02 -0.187181D+02  0.314636D+00 -0.498667D+01 -0.466858D+01
      2  -0.187181D+02 -0.566204D+02 -0.990014D+00 -0.466858D+01 -0.181004D+02
      3   0.314636D+00 -0.990014D+00 -0.670495D+00  0.233469D+00 -0.266485D+00
               171           172           173           174           175 
      1   0.233469D+00 -0.318568D+02 -0.194814D+02  0.320131D+01  0.259478D+02
      2  -0.266485D+00 -0.194814D+02 -0.364654D+02  0.291626D+01  0.244000D+02
      3  -0.488849D+00  0.320131D+01  0.291626D+01  0.162749D+00 -0.893697D+00
               176           177           178           179           180 
      1   0.244000D+02 -0.893697D+00  0.490759D+01  0.523011D+01 -0.187565D+01
      2   0.714240D+02 -0.174509D+01  0.523011D+01  0.165248D+02  0.132598D+01
      3  -0.174509D+01  0.522461D+00 -0.187565D+01  0.132598D+01  0.985849D+00
               181           182           183           184           185 
      1   0.144224D+02  0.963194D+01 -0.129835D+01  0.261645D+02  0.193186D+01
      2   0.963194D+01  0.157640D+02 -0.277973D+01  0.193186D+01  0.356862D+02
      3  -0.129835D+01 -0.277973D+01 -0.770818D+00  0.337980D+01 -0.626204D+01
               186           187           188           189           190 
      1   0.337980D+01  0.113085D+02  0.672020D+00 -0.314367D+01 -0.520641D+01
      2  -0.626204D+01  0.672020D+00  0.898253D+01  0.262147D+01 -0.478796D+01
      3   0.235068D+01 -0.314367D+01  0.262147D+01  0.547486D+00  0.231299D+01
               191           192           193           194           195 
      1  -0.478796D+01  0.231299D+01 -0.274455D+02  0.488105D+01 -0.768703D+00
      2   0.309134D+01 -0.199351D+01  0.488105D+01 -0.491582D+02  0.789723D+01
      3  -0.199351D+01 -0.520936D+00 -0.768703D+00  0.789723D+01 -0.165090D+01
               196           197           198           199           200 
      1  -0.559193D+01  0.233161D+01 -0.498314D+01 -0.154903D+02 -0.119360D+02
      2   0.233161D+01 -0.975762D+01 -0.810538D-01 -0.119360D+02 -0.119187D+02
      3  -0.498314D+01 -0.810538D-01 -0.228756D+01 -0.450415D+00  0.194286D+01
               201           202           203           204           205 
      1  -0.450415D+00 -0.424634D+02 -0.109734D+02  0.109950D+02 -0.197454D+02
      2   0.194286D+01 -0.109734D+02 -0.140160D+02  0.583186D+00 -0.400777D+01
      3   0.149379D+00  0.109950D+02  0.583186D+00 -0.233075D+01  0.367369D+01
               206           207           208           209           210 
      1  -0.400777D+01  0.367369D+01 -0.325064D+02 -0.183708D+02  0.582213D+01
      2  -0.844150D+01  0.176829D+00 -0.183708D+02 -0.472758D+02  0.805772D-01
      3   0.176829D+00 -0.217262D+01  0.582213D+01  0.805772D-01 -0.401563D+01
               211           212           213           214           215 
      1  -0.168590D+02 -0.191033D+02  0.296681D+01 -0.274182D+01 -0.327528D+01
      2  -0.191033D+02 -0.457487D+02  0.674028D+00 -0.327528D+01 -0.115209D+02
      3   0.296681D+01  0.674028D+00 -0.942632D+00 -0.465756D+01  0.176224D+01
               216           217           218           219           220 
      1  -0.465756D+01  0.477251D+02  0.183220D+02 -0.106923D+02 -0.557621D+01
      2   0.176224D+01  0.183220D+02  0.403513D+02 -0.972259D+00 -0.326109D+00
      3   0.245860D+01 -0.106923D+02 -0.972259D+00  0.449070D+01  0.241579D+01
               221           222           223           224           225 
      1  -0.326109D+00  0.241579D+01 -0.422451D+01 -0.505876D+00  0.351377D+01
      2   0.125680D+02 -0.139371D+01 -0.505876D+00  0.210002D+00  0.600832D+01
      3  -0.139371D+01 -0.164615D-01  0.351377D+01  0.600832D+01  0.169963D+01
               226           227           228           229           230 
      1  -0.105207D+02  0.203070D+01  0.530066D+01  0.481656D+02  0.151116D+02
      2   0.203070D+01  0.460651D+01 -0.344439D-01  0.151116D+02  0.179535D+02
      3   0.530066D+01 -0.344439D-01 -0.179000D+01 -0.123568D+02 -0.173176D+01
               231           232           233           234           235 
      1  -0.123568D+02  0.173143D+02  0.466957D+01 -0.511516D+01 -0.434329D+01
      2  -0.173176D+01  0.466957D+01  0.420227D+01  0.912067D+00 -0.704067D+01
      3   0.288006D+01 -0.511516D+01  0.912067D+00  0.270909D+01 -0.111311D+01
               236           237           238           239           240 
      1  -0.704067D+01 -0.111311D+01  0.418467D+01  0.367948D+01 -0.389386D+00
      2  -0.103366D+02  0.104439D+01  0.367948D+01  0.420810D+01 -0.251583D+01
      3   0.104439D+01  0.361787D+00 -0.389386D+00 -0.251583D+01  0.370516D+00
               241           242           243           244           245 
      1   0.451238D+01  0.346451D+01  0.154140D+01  0.153483D+02  0.535344D+01
      2   0.346451D+01  0.949341D+00  0.233762D+01  0.535344D+01  0.120222D+02
      3   0.154140D+01  0.233762D+01  0.199266D+01 -0.235522D+01  0.358370D+00
               246           247           248           249           250 
      1  -0.235522D+01  0.832341D+01 -0.429971D+01 -0.645126D+01  0.144364D+01
      2   0.358370D+00 -0.429971D+01 -0.396510D+01 -0.413870D+00 -0.454902D+01
      3   0.303169D+01 -0.645126D+01 -0.413870D+00  0.165938D+01  0.244298D+01
               251           252           253           254           255 
      1  -0.454902D+01  0.244298D+01  0.234645D+02  0.566433D+01 -0.666213D+01
      2  -0.624278D+01  0.237384D+01  0.566433D+01  0.603904D+01 -0.312886D+00
      3   0.237384D+01 -0.104815D+01 -0.666213D+01 -0.312886D+00  0.191770D+01
               256           257           258           259           260 
      1  -0.767594D+01  0.183709D+01  0.217016D+01 -0.731887D+01 -0.172181D+01
      2   0.183709D+01  0.382117D+01 -0.470286D+00 -0.172181D+01  0.568234D+00
      3   0.217016D+01 -0.470286D+00  0.101140D+01  0.469782D+01  0.103624D+01
               261           262           263           264           265 
      1   0.469782D+01 -0.275007D+02 -0.190030D+01  0.965942D+01 -0.158593D+01
      2   0.103624D+01 -0.190030D+01 -0.544195D+01 -0.128718D+01 -0.559944D+00
      3  -0.228686D+01  0.965942D+01 -0.128718D+01 -0.424311D+01  0.187629D+01
               266           267           268           269           270 
      1  -0.559944D+00  0.187629D+01  0.331173D+01  0.131532D+01 -0.129366D+01
      2  -0.206981D+01  0.106108D+01  0.131532D+01  0.465168D+01 -0.253623D+01
      3   0.106108D+01 -0.145601D+01 -0.129366D+01 -0.253623D+01 -0.763710D+00
               271           272           273           274           275 
      1   0.334060D+01 -0.451073D+01 -0.313505D-03 -0.298959D+01  0.482568D+01
      2  -0.451073D+01  0.685914D+01 -0.111234D+00  0.482568D+01 -0.968758D+01
      3  -0.313505D-03 -0.111234D+00  0.747953D+00  0.800532D+00 -0.107584D+01
               276           277           278           279           280 
      1   0.800532D+00  0.841160D+00  0.189891D-01  0.835247D+00 -0.729528D+00
      2  -0.107584D+01  0.189891D-01 -0.141217D+01 -0.749644D+00 -0.684717D+00
      3  -0.287048D+00  0.835247D+00 -0.749644D+00 -0.252784D-01 -0.102467D+01
               281           282           283           284           285 
      1  -0.684717D+00 -0.102467D+01 -0.114086D+00 -0.129230D+01 -0.286867D+00
      2  -0.202418D+01 -0.676022D+00 -0.129230D+01 -0.106838D+02 -0.496964D+01
      3  -0.676022D+00 -0.129311D+01 -0.286867D+00 -0.496964D+01 -0.308949D+01
               286           287           288           289           290 
      1  -0.962279D+00 -0.123920D+01 -0.695791D+00 -0.127435D+02 -0.361569D+01
      2  -0.123920D+01 -0.547028D+01 -0.368204D+01 -0.361569D+01 -0.953854D+00
      3  -0.695791D+00 -0.368204D+01 -0.215309D+01 -0.519862D+01 -0.131529D+01
               291           292           293           294           295 
      1  -0.519862D+01 -0.170929D+01 -0.216513D+01 -0.111573D+01 -0.504251D+01
      2  -0.131529D+01 -0.216513D+01  0.225876D+00 -0.942018D+00 -0.135016D+01
      3  -0.295590D+01 -0.111573D+01 -0.942018D+00 -0.911884D+00 -0.227379D+01
               296           297           298           299           300 
      1  -0.135016D+01 -0.227379D+01 -0.160341D+01 -0.242442D+01 -0.114902D+01
      2  -0.133574D+01 -0.106094D+01 -0.242442D+01 -0.159892D+01 -0.176995D+01
      3  -0.106094D+01 -0.124141D+01 -0.114902D+01 -0.176995D+01 -0.101589D+01
               301           302           303           304           305 
      1  -0.238099D+01 -0.396109D+01 -0.214041D+01 -0.110818D+01 -0.292479D+01
      2  -0.396109D+01 -0.103518D+02 -0.498032D+01 -0.292479D+01 -0.476093D+01
      3  -0.214041D+01 -0.498032D+01 -0.311578D+01 -0.135478D+01 -0.275767D+01
               306           307           308           309           310 
      1  -0.135478D+01 -0.951810D+01  0.616516D+01  0.325002D+00  0.682346D+01
      2  -0.275767D+01  0.616516D+01 -0.331212D+01 -0.678543D-01 -0.541664D+01
      3  -0.221839D+01  0.325002D+00 -0.678543D-01 -0.595423D+00 -0.611878D+00
               311           312           313           314           315 
      1  -0.541664D+01 -0.611878D+00  0.640030D+00 -0.910312D+00 -0.538583D+00
      2   0.589279D+01  0.597025D+00 -0.910312D+00  0.110917D+01 -0.101871D+00
      3   0.597025D+00  0.484475D+00 -0.538583D+00 -0.101871D+00  0.219312D+00
               316           317           318           319           320 
      1  -0.162793D+02 -0.767464D+00 -0.340509D+01 -0.214679D+01 -0.145878D+01
      2  -0.767464D+00 -0.247438D-01 -0.189608D+00 -0.145878D+01 -0.156312D+01
      3  -0.340509D+01 -0.189608D+00 -0.145823D+01 -0.867813D+00 -0.422128D+00
               321           322           323           324           325 
      1  -0.867813D+00 -0.439776D+01 -0.404198D+00 -0.119962D+01 -0.676156D+01
      2  -0.422128D+00 -0.404198D+00  0.634997D+00  0.308270D+00  0.507563D+01
      3  -0.335454D+00 -0.119962D+01  0.308270D+00 -0.659791D+00  0.157348D+01
               326           327           328           329           330 
      1   0.507563D+01  0.157348D+01  0.360390D+01 -0.563694D+01 -0.151033D+01
      2  -0.594462D+01 -0.136515D+01 -0.563694D+01  0.681763D+01  0.171791D+01
      3  -0.136515D+01 -0.908124D+00 -0.151033D+01  0.171791D+01  0.108732D+01
               331           332           333           334           335 
      1   0.117510D+01 -0.195892D+01 -0.184795D+00  0.114014D+01  0.191791D+01
      2  -0.195892D+01  0.103716D+01  0.115094D+01  0.191791D+01  0.258501D+01
      3  -0.184795D+00  0.115094D+01  0.262254D+00  0.187275D+00  0.429365D+00
               336           337           338           339           340 
      1   0.187275D+00  0.383145D+00  0.255732D+00  0.186301D+00 -0.512898D+00
      2   0.429365D+00  0.255732D+00  0.146336D+02  0.396817D+01 -0.226310D+00
      3   0.276309D+00  0.186301D+00  0.396817D+01  0.174110D+01 -0.170877D+00
               341           342           343           344           345 
      1  -0.226310D+00 -0.170877D+00  0.155886D+01  0.200524D+01  0.392762D+00
      2   0.480024D+01  0.137466D+01  0.200524D+01  0.283917D+01  0.602388D+00
      3   0.137466D+01  0.946110D+00  0.392762D+00  0.602388D+00  0.400870D+00
               346           347           348           349           350 
      1   0.140541D+01  0.369689D+01  0.117196D+01  0.738896D+00  0.100353D+01
      2   0.369689D+01  0.119704D+02  0.307982D+01  0.100353D+01  0.387219D+01
      3   0.117196D+01  0.307982D+01  0.148831D+01  0.274668D+00  0.151317D+01
               351           352           353           354           355 
      1   0.274668D+00  0.105936D+02  0.522309D+01 -0.465006D+00  0.350398D+01
      2   0.151317D+01  0.522309D+01  0.328351D+01 -0.203662D+00  0.271473D+01
      3   0.825032D+00 -0.465006D+00 -0.203662D+00  0.744316D+00  0.302455D+00
               356           357           358           359           360 
      1   0.271473D+01  0.302455D+00  0.241144D+00  0.423878D+00  0.167862D+00
      2   0.240524D+01  0.213695D+00  0.423878D+00  0.794999D+00  0.183004D+00
      3   0.213695D+00  0.322908D+00  0.167862D+00  0.183004D+00  0.260874D+00
               361           362           363           364           365 
      1   0.103383D+02 -0.259447D+01 -0.167612D+01  0.291923D+01  0.612123D+01
      2  -0.259447D+01  0.117370D+01  0.379468D+00  0.612123D+01 -0.253110D+01
      3  -0.167612D+01  0.379468D+00  0.188901D+01 -0.769494D+00 -0.251130D+01
               366           367           368           369           370 
      1  -0.769494D+00  0.739893D+00  0.117187D+01  0.552430D+01 -0.158334D+01
      2  -0.251130D+01  0.117187D+01 -0.718801D+00 -0.128541D+01 -0.809778D+00
      3  -0.989143D+00  0.552430D+01 -0.128541D+01 -0.700873D+01  0.276881D+00
               371           372           373           374           375 
      1  -0.809778D+00  0.276881D+00 -0.922965D+00 -0.580309D+00  0.450483D+00
      2  -0.168500D+01  0.396190D+00 -0.580309D+00 -0.258180D+01 -0.844403D-01
      3   0.396190D+00 -0.295450D+00  0.450483D+00 -0.844403D-01 -0.106223D+01
               376           377           378 
      1  -0.115534D+00 -0.392738D+00  0.171002D+00
      2  -0.392738D+00 -0.856458D+00 -0.372190D+00
      3   0.171002D+00 -0.372190D+00 -0.735427D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.689092D+01 -0.110318D+02  0.203952D+01 -0.633088D+01  0.130006D+02
      2   0.605784D+01 -0.764267D+01  0.295290D+01 -0.429552D+01  0.757788D+01
      3  -0.488664D+01  0.378211D+00  0.117093D+01  0.802155D+01 -0.667607D+01
                 6             7             8             9            10 
      1  -0.177110D+01 -0.119435D-02  0.269570D+01  0.408651D+01 -0.172465D+02
      2  -0.457253D+00  0.680347D+00  0.514059D+00  0.259222D+01  0.722311D+01
      3   0.225909D+01 -0.339640D+01 -0.522686D+01 -0.380356D+01  0.348544D+02
                11            12            13            14            15 
      1   0.142540D+02 -0.397744D+02 -0.118643D+02  0.192248D+02 -0.147374D+02
      2   0.955214D+01 -0.780769D+01  0.389766D+01  0.753531D+01  0.380043D+01
      3  -0.301180D+02  0.512398D+02  0.273963D+02 -0.351748D+02  0.169184D+02
                16            17            18            19            20 
      1  -0.193959D+02 -0.411791D+01 -0.518526D+01  0.170635D+02 -0.497247D+01
      2  -0.119485D+02  0.106767D+02  0.165951D+01  0.231708D+01 -0.895864D+01
      3   0.312161D+02 -0.238924D+02  0.311834D+02 -0.314692D+02  0.259930D+02
                21            22            23            24            25 
      1   0.221390D+02  0.158520D+02  0.113665D+02  0.230205D+01  0.121894D+02
      2   0.849109D+01 -0.227347D+01 -0.295336D+01 -0.648304D+01 -0.431505D+01
      3  -0.382813D+02 -0.187029D+02 -0.353008D+02 -0.883390D+01 -0.323556D+02
                26            27            28            29            30 
      1  -0.637807D+01  0.291867D+02  0.310192D+01 -0.236241D+01  0.263272D+01
      2   0.372155D+01  0.952652D+01  0.291282D+00 -0.213020D+01 -0.162334D+00
      3   0.269570D+02 -0.478002D+02 -0.435137D+01  0.375865D+01 -0.570891D+01
                31            32            33            34            35 
      1   0.443514D+01  0.131085D+02  0.175247D+02  0.759919D+01  0.158080D+02
      2  -0.587622D-01  0.159419D+01  0.759456D+01 -0.331289D+01  0.231823D+01
      3  -0.232097D+01 -0.804008D+01 -0.161524D+02 -0.340597D+01 -0.119795D+02
                36            37            38            39            40 
      1   0.193112D+02  0.194988D+02  0.702137D+01  0.783794D+01  0.125215D+02
      2   0.240097D+01 -0.642591D+01  0.121578D+01 -0.162447D+01 -0.118033D+02
      3  -0.127323D+02 -0.358054D+02 -0.118748D+02 -0.194441D+02 -0.367846D+02
                41            42            43            44            45 
      1  -0.176573D+02  0.773655D+01  0.142296D+02 -0.974343D+01  0.354328D+02
      2  -0.486126D+01 -0.124973D+01  0.243657D+01 -0.827692D+01  0.135572D+02
      3   0.375428D+02 -0.211835D+02 -0.338322D+02  0.569231D+02 -0.371809D+02
                46            47            48            49            50 
      1   0.101392D+02  0.556470D+00  0.915118D+01  0.268906D+01  0.651588D+00
      2  -0.997640D+01  0.629631D+00 -0.161146D+01  0.398109D+01 -0.171798D+01
      3  -0.193922D+02  0.501350D+00 -0.144130D+02  0.162494D+00 -0.846319D+00
                51            52            53            54            55 
      1   0.462790D+01  0.113808D+02  0.167657D+01  0.106808D+02 -0.238085D+02
      2   0.328788D+01 -0.759887D+01  0.829362D+00 -0.253019D+01 -0.111339D+02
      3  -0.309823D+01 -0.177898D+02 -0.250340D+01 -0.159303D+02  0.156718D+02
                56            57            58            59            60 
      1   0.232583D+02 -0.184369D+02 -0.264703D+02  0.101172D+02 -0.266081D+02
      2   0.201291D+02  0.347842D+01  0.708966D-01  0.130215D+02 -0.628188D+00
      3  -0.372231D+02  0.194651D+02  0.350451D+02 -0.274224D+02  0.352000D+02
                61            62            63            64            65 
      1  -0.323533D+02  0.372343D+02 -0.340289D+02 -0.535953D+01  0.498044D+01
      2  -0.428034D+01  0.129771D+02 -0.200032D+02 -0.819727D+01  0.600327D+01
      3   0.721930D+02 -0.734501D+02  0.524351D+02 -0.103242D+02  0.395378D+01
                66            67            68            69            70 
      1   0.339496D+00  0.740021D+01 -0.873078D+01 -0.259374D+01  0.807468D+00
      2   0.245628D-01  0.928986D+01 -0.923586D+01 -0.194024D+01 -0.123138D+01
      3  -0.354234D+00  0.882235D+01 -0.451767D+01  0.559119D+00 -0.426918D+00
                71            72            73            74            75 
      1  -0.250903D+01 -0.157067D+01  0.529167D+02 -0.343829D+02  0.566276D+02
      2  -0.630003D+00 -0.128116D+01  0.187295D+02 -0.121453D+02  0.193533D+02
      3   0.268826D+01  0.591536D+00 -0.103131D+03  0.833451D+02 -0.974614D+02
                76            77            78            79            80 
      1  -0.886029D+02 -0.213357D+02 -0.109099D+03 -0.449187D+01 -0.230886D+02
      2  -0.723024D+01 -0.278614D+02 -0.141072D+02 -0.682946D+01 -0.166319D+02
      3   0.162090D+03 -0.355082D+02  0.199958D+03  0.294239D+02  0.328465D+02
                81            82            83            84            85 
      1  -0.179537D+02  0.579541D+02 -0.207731D+02  0.583254D+02  0.209650D+02
      2  -0.137970D+02  0.271840D+02 -0.807086D+01  0.200056D+02  0.948808D+01
      3   0.430432D+02 -0.180835D+03  0.180253D+03 -0.117332D+03 -0.678925D+02
                86            87            88            89            90 
      1   0.226141D+02  0.286700D+02  0.736536D+02 -0.209163D+02  0.838355D+02
      2   0.183385D+02  0.116575D+02  0.114277D+01  0.532329D+01  0.921717D+01
      3   0.753739D+01 -0.748343D+02 -0.115953D+03  0.114843D+03 -0.154789D+03
                91            92            93            94            95 
      1  -0.558145D+02 -0.977411D+01 -0.643555D+02  0.360462D+02  0.128174D+01
      2   0.234328D+02 -0.229464D+02  0.148322D+02  0.562151D+00  0.538629D+01
      3   0.109786D+03 -0.549063D+02  0.111286D+03 -0.802443D+02  0.243998D+02
                96            97            98            99           100 
      1   0.443446D+02 -0.304326D-01 -0.138173D+02 -0.354909D+01  0.164382D+02
      2  -0.411499D+01  0.273546D+01 -0.996183D+01 -0.602397D+01 -0.550294D+01
      3  -0.929839D+02  0.650352D+00  0.395983D+02  0.450907D+01 -0.366875D+02
               101           102           103           104           105 
      1   0.115585D+02  0.235881D+02  0.748589D+02 -0.496804D+02  0.413024D+02
      2   0.151094D+02  0.175939D+01  0.159890D+02 -0.394101D+01  0.443475D+01
      3  -0.549126D+02 -0.461319D+02 -0.199816D+03  0.279944D+03 -0.102443D+03
               106           107           108           109           110 
      1   0.412789D+02 -0.690105D+01  0.345770D+02 -0.236844D+02 -0.273585D+02
      2  -0.156435D+02  0.165131D+00 -0.149693D+02  0.251774D+01 -0.257764D+02
      3  -0.907455D+02  0.167896D+03 -0.729854D+02  0.682238D+02  0.591163D+02
               111           112           113           114           115 
      1  -0.264434D+02 -0.111586D+03  0.943008D+02 -0.709592D+02 -0.536251D+02
      2  -0.571641D+01 -0.262565D+02  0.363079D+02 -0.130042D+02 -0.300021D+02
      3   0.659180D+02  0.272563D+03 -0.451621D+03  0.175892D+03  0.130873D+03
               116           117           118           119           120 
      1   0.400209D+02 -0.443056D+02 -0.783765D+02  0.726259D+02 -0.548169D+02
      2   0.171673D+02 -0.131847D+02 -0.194518D+02  0.243754D+02 -0.108622D+02
      3  -0.154949D+03  0.927240D+02  0.224286D+03 -0.335640D+03  0.149324D+03
               121           122           123           124           125 
      1   0.343333D+02 -0.467146D+02  0.209511D+02 -0.433904D+02  0.291913D+02
      2   0.162804D+02 -0.260254D+02  0.823101D+01 -0.222361D+02  0.205379D+02
      3  -0.671821D+02  0.183815D+03 -0.464776D+02  0.854278D+02 -0.142166D+03
               126           127           128           129           130 
      1  -0.582011D+02  0.585401D+02 -0.943134D+02  0.250654D+02 -0.323175D+01
      2  -0.151841D+02  0.117272D+02 -0.471778D+02  0.665741D+01 -0.158403D+02
      3   0.742882D+02 -0.649569D+02  0.463200D+03 -0.514300D+02  0.107453D+03
               131           132           133           134           135 
      1  -0.214866D+02  0.208042D+01  0.813243D+01 -0.109399D+02 -0.527508D+01
      2  -0.204603D+02 -0.186830D+01 -0.190661D+02 -0.186880D+02 -0.595919D+01
      3   0.923754D+02  0.179566D+02  0.411532D+02  0.173171D+03 -0.208843D+01
               136           137           138           139           140 
      1  -0.637696D+02  0.124209D+03 -0.317179D+02  0.903154D+01  0.201184D+02
      2  -0.125672D+02  0.874043D+02 -0.115919D+02  0.265879D+02  0.246376D+02
      3   0.686912D+02 -0.612873D+03  0.828757D+02 -0.933702D+02 -0.123218D+03
               141           142           143           144           145 
      1  -0.111233D+01 -0.145596D+02  0.711494D+02 -0.740188D+01 -0.215872D+02
      2   0.584731D+01  0.766188D+00  0.369897D+02 -0.896314D+00 -0.996924D+01
      3  -0.146608D+02 -0.171850D+02 -0.208054D+03  0.153830D+02  0.531691D+02
               146           147           148           149           150 
      1   0.638979D+01 -0.201184D+02  0.399623D+02 -0.839668D+02  0.362891D+02
      2   0.149078D+02  0.205017D+01 -0.126483D+02 -0.602126D+02 -0.449262D+00
      3  -0.112145D+03  0.315708D+02 -0.272938D+00  0.342787D+03 -0.568331D+02
               151           152           153           154           155 
      1  -0.145455D+02  0.123495D+02 -0.108441D+02  0.609523D+02 -0.263490D+02
      2   0.110837D+02 -0.869610D+01  0.942238D+01  0.209942D+02 -0.265823D+02
      3   0.794822D+01  0.573482D+02  0.120613D+02 -0.126940D+03  0.172219D+03
               156           157           158           159           160 
      1   0.501623D+02 -0.266662D+02  0.407358D+02 -0.259095D+02  0.788599D+01
      2   0.107199D+02  0.852279D+00  0.166639D+02 -0.154716D+01 -0.719496D+01
      3  -0.101780D+03  0.330158D+02 -0.190219D+03  0.494402D+02 -0.545179D+02
               161           162           163           164           165 
      1  -0.918712D+01  0.107566D+02 -0.106441D+02 -0.583912D+02  0.343592D+01
      2   0.336093D+02  0.101491D+02 -0.132690D+02 -0.205528D+02 -0.534695D+00
      3   0.235470D+02 -0.657911D+02  0.156825D+03  0.227560D+03 -0.999353D+01
               166           167           168           169           170 
      1  -0.588280D+01  0.488958D+02 -0.208661D+01 -0.100506D+02  0.454598D+02
      2   0.241745D+02  0.310534D+02  0.259515D+01 -0.190600D+02  0.146306D+02
      3  -0.155831D+03 -0.289073D+03 -0.978667D+01 -0.651143D+01 -0.112979D+03
               171           172           173           174           175 
      1  -0.829555D+01  0.276110D+02  0.648043D+02 -0.610224D+00  0.586850D+01
      2   0.218268D+01  0.481605D+02  0.366837D+02 -0.511053D+00 -0.176210D+02
      3   0.436844D+01 -0.260749D+03 -0.289835D+03  0.198738D+02  0.199594D+03
               176           177           178           179           180 
      1  -0.887033D+02  0.109205D+02  0.145985D+02 -0.254666D+01  0.241413D+01
      2  -0.696689D+02  0.117208D+01 -0.129114D+02 -0.311692D+02 -0.530641D+01
      3   0.505037D+03 -0.162029D+02  0.164062D+02  0.128636D+03 -0.294627D+01
               181           182           183           184           185 
      1  -0.233346D+02 -0.382205D+02  0.229938D+01  0.303898D+01 -0.618210D+02
      2  -0.306871D+02 -0.140574D+02  0.504272D+01 -0.201420D+02 -0.283813D+02
      3   0.152357D+03  0.142087D+03 -0.202177D+02  0.834452D+02  0.274547D+03
               186           187           188           189           190 
      1   0.523372D+01  0.189764D+02 -0.937990D+01 -0.178543D+01  0.124006D+02
      2  -0.153065D+01 -0.155453D+01 -0.485673D+02 -0.680862D+01  0.633629D+01
      3  -0.390971D+02  0.288664D+02  0.778911D+02  0.110954D+02 -0.606339D+02
               191           192           193           194           195 
      1  -0.115914D+02  0.467540D+01 -0.364988D+02  0.745037D+02 -0.154107D+02
      2  -0.694855D+01  0.809053D+01 -0.134415D+02  0.545751D+02 -0.790854D+01
      3   0.355025D+02 -0.162940D+02 -0.170246D+00 -0.387836D+03  0.650766D+02
               196           197           198           199           200 
      1  -0.118733D+01  0.453638D+02  0.388625D+01  0.229979D+01  0.212974D+02
      2   0.198065D+02  0.268637D+02  0.936485D+01 -0.927565D+01 -0.371771D+01
      3  -0.648737D+01 -0.652076D+02 -0.920240D+01 -0.378911D+02 -0.582034D+02
               201           202           203           204           205 
      1   0.709220D+00  0.102907D+02  0.254900D+02 -0.346428D+01 -0.361146D+00
      2  -0.467936D+00  0.216137D+02  0.427434D+01 -0.389833D+01 -0.598970D+01
      3  -0.155685D+01 -0.239647D+03 -0.950152D+02  0.606522D+02 -0.106778D+03
               206           207           208           209           210 
      1   0.263372D+02  0.327469D+01  0.252309D+01  0.608768D+02  0.288037D+01
      2  -0.204112D+01  0.364959D+01  0.312940D+02  0.479380D+02 -0.510262D+00
      3  -0.794542D+02  0.256407D+02 -0.250948D+03 -0.335927D+03  0.415382D+02
               211           212           213           214           215 
      1  -0.124013D+02  0.529408D+02 -0.859741D+01  0.319548D+02  0.225740D+02
      2   0.172242D+02  0.577001D+02 -0.289224D+01  0.103227D+01 -0.322067D+01
      3  -0.144952D+03 -0.353564D+03  0.252539D+02 -0.342478D+02 -0.770570D+02
               216           217           218           219           220 
      1  -0.772569D+01 -0.450771D+01 -0.615526D+02  0.238052D+01  0.807548D+01
      2  -0.445159D+00 -0.462661D+02 -0.313365D+02  0.843887D+01  0.118688D+02
      3  -0.186010D+02  0.362210D+03  0.269834D+03 -0.795176D+02 -0.416161D+02
               221           222           223           224           225 
      1   0.509857D+01 -0.552026D+01 -0.129353D+02 -0.234075D+02 -0.115133D+02
      2  -0.101869D+02 -0.356745D+01 -0.225244D+02 -0.192545D+02 -0.795113D+01
      3   0.699899D+02  0.145988D+02 -0.366959D+02  0.131660D+02  0.497300D+02
               226           227           228           229           230 
      1   0.460267D+00 -0.619704D+01 -0.116130D+01  0.115639D-01 -0.427988D+02
      2  -0.461243D+00 -0.222489D+02 -0.302239D+01 -0.404573D+02 -0.986174D+01
      3  -0.686003D+02  0.985352D+02  0.250068D+02  0.372741D+03  0.152719D+03
               231           232           233           234           235 
      1   0.757242D+01 -0.542539D+01 -0.436138D+01 -0.242100D+01 -0.108049D+01
      2   0.118962D+02 -0.354646D+02 -0.964729D+01  0.893005D+01  0.107559D+02
      3  -0.101627D+03  0.124578D+03  0.423615D+02 -0.346415D+02 -0.563994D+02
               236           237           238           239           240 
      1   0.110921D+02 -0.810109D+00 -0.232876D+00  0.550049D+00 -0.206096D+01
      2   0.256511D+02 -0.302948D+01  0.443141D+00 -0.498806D+01  0.128023D+01
      3  -0.129784D+03  0.123252D+02  0.375881D+02  0.187192D+02 -0.658798D+01
               241           242           243           244           245 
      1  -0.112252D+02 -0.115839D+02 -0.758616D+01 -0.176306D+01 -0.138687D+02
      2  -0.224018D+02  0.298214D+00  0.112228D+02 -0.837547D+01 -0.127225D+02
      3   0.360750D+02  0.464794D+02 -0.266854D+01  0.877437D+02  0.724136D+02
               246           247           248           249           250 
      1  -0.700977D+01  0.168860D+02  0.439264D+01 -0.296116D+01 -0.143863D+02
      2   0.836108D+01  0.950334D+00  0.173750D+01 -0.500856D+01  0.735202D+01
      3  -0.148142D+02  0.124900D+02 -0.461592D+02 -0.845809D+01 -0.306291D+01
               251           252           253           254           255 
      1   0.479975D+01  0.780583D+01  0.673440D+01  0.554701D+01 -0.599186D+01
      2   0.142151D+02 -0.526101D+01 -0.324421D+02 -0.945041D+01  0.477475D+01
      3  -0.385256D+02  0.218304D+02  0.192803D+03  0.634864D+02 -0.665929D+02
               256           257           258           259           260 
      1   0.519239D+01 -0.926285D+01 -0.570350D+01 -0.108884D+02  0.746194D+01
      2  -0.578721D+01 -0.980191D+00  0.107186D+02 -0.116585D+02 -0.440706D+01
      3  -0.279549D+01  0.250232D+02 -0.154764D+02 -0.342952D+02 -0.200080D+02
               261           262           263           264           265 
      1   0.100356D+02 -0.732525D+01  0.146844D+01  0.535914D+01 -0.562055D+01
      2   0.709882D+01  0.183916D+02  0.132014D+02 -0.243051D+01  0.631963D+01
      3   0.174067D+02 -0.183718D+03 -0.567242D+02  0.596367D+02 -0.832797D+01
               266           267           268           269           270 
      1  -0.364136D+01 -0.832511D-01  0.348329D+01  0.716596D+01  0.370715D+01
      2   0.158713D+01 -0.523328D+01 -0.115960D+02 -0.528814D+01 -0.335957D+01
      3   0.183852D+02  0.137506D+02 -0.348350D+01 -0.849912D+01  0.119616D+02
               271           272           273           274           275 
      1   0.216018D+01 -0.269208D+01  0.561944D+01  0.327440D+01 -0.371617D+01
      2   0.119215D+01 -0.141678D+01  0.266287D+01 -0.595143D+00  0.156701D+01
      3  -0.184592D+02  0.201661D+02 -0.229217D+01  0.171025D+02 -0.240883D+02
               276           277           278           279           280 
      1  -0.201964D+01  0.278194D+01 -0.560483D-01  0.182491D-01 -0.500198D+01
      2  -0.932077D+00  0.142328D+01 -0.343529D-01  0.482448D+00 -0.151270D+01
      3  -0.611489D+01 -0.987590D+01  0.275962D+01 -0.653662D+01  0.565214D+01
               281           282           283           284           285 
      1  -0.900132D+00 -0.668490D+01 -0.642608D+00 -0.125049D+02 -0.122122D+02
      2   0.505275D+00 -0.657906D+00 -0.110012D+01  0.177988D+01  0.200631D+01
      3  -0.402909D+01  0.674702D+01 -0.111999D+00 -0.336138D+01 -0.388777D+01
               286           287           288           289           290 
      1  -0.117933D+01 -0.948458D+01 -0.601458D+01 -0.892332D+01 -0.356883D+00
      2  -0.164058D+01  0.224223D+00  0.154575D+01  0.210170D+01  0.663732D+00
      3   0.702212D+01  0.187942D+01 -0.592010D+00  0.118186D+02  0.642741D+00
               291           292           293           294           295 
      1  -0.584617D+01  0.644792D-01 -0.233740D+01 -0.136085D+01 -0.179188D+01
      2   0.728945D+01  0.385035D+01 -0.148891D+01  0.282256D+01 -0.128323D+01
      3   0.550497D+01 -0.630228D+01  0.110640D+02 -0.158285D+01  0.586711D+01
               296           297           298           299           300 
      1  -0.153978D+01 -0.419191D+00  0.218823D+00 -0.373664D+01 -0.894380D+00
      2   0.134266D+01  0.260312D+01  0.280203D+01  0.181696D+01  0.346457D+01
      3  -0.286135D+01 -0.115320D+01 -0.632880D+01  0.409738D+01 -0.560371D+01
               301           302           303           304           305 
      1  -0.132971D+01  0.158791D+00 -0.508160D+01  0.129544D+01  0.123060D+01
      2   0.203782D+01  0.133707D+02  0.836290D+01  0.261017D+01  0.213758D+01
      3  -0.350950D+01 -0.298585D+02 -0.131784D+02 -0.708972D+01 -0.790432D+01
               306           307           308           309           310 
      1  -0.313658D+01 -0.386976D+01  0.461342D+00  0.271359D+01  0.409747D+01
      2   0.487394D+01 -0.397284D+01 -0.307286D+00  0.434734D+01  0.409243D+01
      3  -0.539544D+01  0.139859D+02 -0.457172D+01  0.719197D-01 -0.112190D+02
               311           312           313           314           315 
      1  -0.528366D+01 -0.330668D+01 -0.409236D+00  0.742056D+00 -0.334827D+00
      2  -0.713041D+01 -0.426612D+01 -0.191846D+00  0.275419D+01 -0.517795D+00
      3   0.240983D+02  0.286669D+01 -0.250568D+01  0.545903D+01 -0.297597D+01
               316           317           318           319           320 
      1   0.116473D+01  0.296867D+00  0.293472D+00  0.845261D+00  0.351232D+01
      2   0.768520D+01 -0.186891D+00  0.855587D+01  0.399606D+01  0.452554D+01
      3  -0.168216D+02 -0.127655D+01 -0.473184D+01 -0.817024D+01 -0.144563D+02
               321           322           323           324           325 
      1  -0.415937D-01 -0.220445D+00 -0.935969D+00 -0.673346D+00 -0.210419D+01
      2   0.233572D+01 -0.754936D-01 -0.221224D+01  0.170660D+01  0.240582D+01
      3  -0.318287D+01 -0.596504D+01  0.627514D+00  0.204171D+01 -0.162475D+02
               326           327           328           329           330 
      1   0.299314D+01  0.399015D+01  0.440198D+01 -0.110094D+01 -0.483595D+01
      2   0.453773D+00  0.320744D+01  0.185004D+01  0.147685D+00 -0.307324D+01
      3  -0.198499D+01  0.205211D+01 -0.181575D+01 -0.456355D+01 -0.138818D+01
               331           332           333           334           335 
      1  -0.307547D+01 -0.182153D+01 -0.112575D+01 -0.121683D+01 -0.159605D+01
      2  -0.106290D+01  0.157716D+00 -0.148821D+01 -0.283458D+01 -0.285937D+01
      3  -0.166756D+01 -0.776073D+01  0.486475D+01  0.144226D+02  0.149032D+02
               336           337           338           339           340 
      1  -0.117422D+01 -0.120628D+01 -0.915856D+01 -0.860205D+01  0.302263D+01
      2   0.109129D+00 -0.160147D+01 -0.791978D+01 -0.257995D+01  0.166947D+01
      3   0.471783D+00  0.457083D+01  0.297418D+02  0.101129D+02 -0.453229D+01
               341           342           343           344           345 
      1   0.252128D+01 -0.287572D+01 -0.127173D+01 -0.108664D+01 -0.168854D+01
      2  -0.347303D+00 -0.301508D+00  0.941553D+00  0.639559D-01  0.545270D+00
      3   0.566087D+01  0.185286D+00  0.107635D+01  0.222464D+01  0.198004D+01
               346           347           348           349           350 
      1  -0.314746D+01 -0.801735D+01 -0.812007D+01 -0.634197D+00 -0.196147D+01
      2   0.185120D+00  0.371300D+01  0.263679D+01 -0.172610D+00  0.553489D+00
      3   0.365399D+01  0.432849D-01  0.906011D+00  0.332315D+01 -0.246354D+01
               351           352           353           354           355 
      1  -0.297907D+01 -0.727580D+00 -0.544025D+00 -0.289333D+01 -0.276315D+01
      2   0.456668D+00 -0.152106D+01 -0.673116D+00  0.448117D+01  0.244873D+01
      3   0.136071D-01  0.325434D+02  0.101187D+02 -0.203590D+01  0.665382D+01
               356           357           358           359           360 
      1  -0.139177D+01 -0.116725D+01  0.126724D+01 -0.605729D-01 -0.768041D+00
      2   0.137715D+01  0.132628D+01 -0.104991D+01 -0.118716D+01  0.595948D+00
      3   0.257782D+01  0.221468D+01 -0.409617D+01  0.958524D+00 -0.209043D-01
               361           362           363           364           365 
      1   0.238894D+01 -0.558564D+01 -0.107796D+01  0.255181D-01  0.101225D+02
      2   0.823825D+01  0.486196D+01  0.137298D+02 -0.354584D+01 -0.606078D+01
      3  -0.274884D+01 -0.403150D+02  0.484863D+01  0.228532D+02  0.425613D+02
               366           367           368           369           370 
      1  -0.607913D+01 -0.925879D+01  0.134702D+02  0.848030D+01 -0.404628D-01
      2  -0.549294D+01 -0.290165D+01 -0.775469D+01 -0.119184D+02 -0.227800D+01
      3  -0.432176D+01  0.185645D+02  0.201476D+02  0.196319D+02  0.148983D+01
               371           372           373           374           375 
      1   0.394585D+01 -0.759104D+00 -0.349350D+00  0.605217D+01 -0.105258D+01
      2  -0.218546D+01  0.117675D+00 -0.335610D+01 -0.453519D+01  0.226704D+00
      3   0.506806D+00  0.201468D+01  0.906099D+01  0.143268D+02 -0.557826D+00
               376           377           378 
      1   0.160074D+01  0.503274D+01 -0.454935D+00
      2  -0.808515D+00 -0.706742D+00 -0.716137D+00
      3  -0.268502D+01  0.309659D+01  0.284535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.215010D+01 -0.325699D+01  0.234829D+01  0.171548D+01 -0.523424D+00
      2  -0.196361D+01  0.222404D+01  0.310357D+01  0.200418D+01 -0.173737D+01
      3  -0.186492D+00  0.103295D+01 -0.545187D+01 -0.371966D+01  0.226080D+01
      4   0.403897D+00 -0.874413D+00  0.596481D+00  0.276825D+00 -0.306880D+00
      5  -0.716366D+01  0.696378D+01  0.306653D+01  0.646176D+01 -0.813964D+01
      6   0.323286D+01 -0.479355D+01 -0.770087D+00 -0.267894D+01  0.602272D+01
                 6             7             8             9            10 
      1  -0.357322D+01  0.204177D+01 -0.354728D+01 -0.470959D+00 -0.775377D+01
      2  -0.474115D+01  0.822793D+00 -0.145518D+01 -0.242933D+01  0.124234D+02
      3   0.831437D+01 -0.286456D+01  0.500246D+01  0.290029D+01 -0.466961D+01
      4   0.829149D+00  0.110773D+01  0.696361D+00  0.312022D-01  0.183738D+02
      5  -0.500564D+01  0.235327D+01 -0.512478D+00 -0.441594D+01 -0.267688D+02
      6   0.338296D+01 -0.679740D+00  0.232096D+01  0.356335D+01  0.120112D+02
                11            12            13            14            15 
      1   0.652262D+01  0.158191D+02 -0.895345D+01  0.103901D+01 -0.671956D+01
      2   0.464235D+01  0.345723D+02  0.141082D+02 -0.251711D+00  0.142874D+02
      3  -0.111650D+02 -0.503914D+02 -0.515471D+01 -0.787301D+00 -0.756787D+01
      4  -0.138847D+00  0.589802D+01  0.664432D+01  0.151661D+02  0.656899D+01
      5   0.844365D+01  0.294711D+01 -0.161969D+02  0.383461D+01 -0.110949D+01
      6  -0.677020D+01  0.158253D+02  0.133958D+02  0.360634D+01  0.135564D+02
                16            17            18            19            20 
      1  -0.562690D+01 -0.181354D+01 -0.552328D+00  0.160095D+02 -0.979420D+01
      2   0.305306D+02 -0.269029D+01  0.259856D+02 -0.123713D+02  0.227181D+01
      3  -0.249037D+02  0.450383D+01 -0.254333D+02 -0.363815D+01  0.752240D+01
      4   0.103752D+02 -0.200666D+01  0.235514D+02 -0.216074D+02  0.932566D+01
      5  -0.129883D+02  0.219745D+02 -0.288070D+02  0.222915D+02 -0.249803D+02
      6   0.232679D+02 -0.131843D+02  0.205781D+02 -0.179112D+02  0.165043D+02
                21            22            23            24            25 
      1   0.144260D+02 -0.181634D+01  0.156938D+02  0.128459D+02  0.123607D+01
      2   0.577975D+01 -0.199246D+02 -0.784610D+01 -0.113711D+02 -0.205876D+02
      3  -0.202058D+02  0.217409D+02 -0.784767D+01 -0.147479D+01  0.193516D+02
      4  -0.161926D+02  0.902409D+01 -0.483590D+01 -0.174385D+01 -0.158648D+02
      5   0.167949D+01  0.166132D+02  0.118160D+02  0.197200D+02  0.224663D+02
      6   0.268028D+00  0.302756D+01 -0.121815D+02 -0.780462D+01 -0.219630D+02
                26            27            28            29            30 
      1   0.590089D+01 -0.271294D+02 -0.223692D+01  0.771575D+00 -0.351620D+01
      2   0.115039D+02 -0.455416D+02 -0.824405D+01 -0.142108D+01 -0.106759D+02
      3  -0.174048D+02  0.726710D+02  0.104810D+02  0.649504D+00  0.141921D+02
      4  -0.781263D+00 -0.182474D+02  0.782139D+00  0.282173D+01  0.912343D+00
      5  -0.201676D+02  0.119081D+02  0.697562D+01  0.337453D+01  0.137087D+02
      6   0.483710D+01 -0.465402D+02  0.131479D+01  0.197647D+01 -0.174016D+01
                31            32            33            34            35 
      1  -0.443379D+01 -0.124605D+02 -0.247493D+02 -0.554542D+01 -0.112087D+02
      2  -0.663278D+01 -0.115807D+02 -0.277455D+02 -0.114775D+02 -0.145605D+02
      3   0.110666D+02  0.240412D+02  0.524948D+02  0.170229D+02  0.257693D+02
      4   0.423402D+01  0.692360D+01  0.927048D+01  0.400540D+01  0.506134D+01
      5   0.535104D+01  0.606109D+01  0.101795D+02  0.113929D+02  0.871283D+01
      6   0.692847D+01  0.155496D+02  0.210515D+02  0.711432D+01  0.115791D+02
                36            37            38            39            40 
      1  -0.261362D+02 -0.170387D+01  0.907516D+01 -0.765079D+01  0.276099D+02
      2  -0.348125D+02 -0.834356D+01 -0.179779D+02 -0.118277D+02 -0.166692D+02
      3   0.609488D+02  0.100474D+02  0.890271D+01  0.194784D+02 -0.109407D+02
      4   0.102215D+02 -0.267763D+01  0.711174D+01  0.331573D+01 -0.331985D+02
      5   0.190961D+02 -0.195042D+01  0.121561D+02  0.736363D+00  0.184168D+02
      6   0.220350D+02  0.459312D+01 -0.121302D+01  0.561808D+01 -0.222363D+02
                41            42            43            44            45 
      1  -0.137168D+02  0.138397D+02 -0.254076D+02  0.660476D+01 -0.496976D+02
      2   0.216585D+01  0.142727D+02  0.100622D+01  0.213389D+01 -0.161119D+02
      3   0.115509D+02 -0.281124D+02  0.244014D+02 -0.873866D+01  0.658094D+02
      4   0.128266D+02 -0.163965D+02 -0.340027D+02  0.242190D+02 -0.263203D+02
      5  -0.224356D+02 -0.673904D+01  0.671364D+01 -0.254284D+02  0.151301D+02
      6   0.182507D+02  0.562569D+01 -0.401005D+02  0.402552D+02 -0.504188D+02
                46            47            48            49            50 
      1   0.258106D+02 -0.198989D+01  0.104169D+02 -0.408746D+01  0.134497D+01
      2  -0.478179D+02  0.759307D+01 -0.391446D+02 -0.233734D+01 -0.299446D+01
      3   0.220073D+02 -0.560319D+01  0.287277D+02  0.642480D+01  0.164949D+01
      4  -0.267277D+02  0.974387D+01 -0.206012D+02  0.100180D+02 -0.392585D+01
      5   0.687835D+02 -0.132462D+02  0.574033D+02 -0.235176D+01  0.721273D+01
      6  -0.269390D+02  0.106964D+02 -0.255071D+02  0.761700D+01 -0.400016D+01
                51            52            53            54            55 
      1  -0.418488D+01  0.127370D+02 -0.453501D+00  0.635311D+01  0.213878D+02
      2  -0.697876D+01 -0.381728D+02  0.305006D+01 -0.373414D+02 -0.715666D+01
      3   0.111636D+02  0.254358D+02 -0.259656D+01  0.309883D+02 -0.142312D+02
      4   0.662886D+01 -0.131503D+02  0.444693D+01 -0.119879D+02  0.167898D+02
      5   0.193341D+01  0.505133D+02 -0.618067D+01  0.489881D+02 -0.662055D+00
      6   0.470564D+01 -0.156386D+02  0.569944D+01 -0.160360D+02  0.159925D+02
                56            57            58            59            60 
      1   0.440027D-01  0.156104D+02  0.914769D+01 -0.187722D+02  0.176024D+02
      2   0.144198D+01 -0.719124D+01  0.257245D+02  0.383513D+00  0.830233D+01
      3  -0.148599D+01 -0.841921D+01 -0.348722D+02  0.183887D+02 -0.259047D+02
      4  -0.165933D+02  0.167134D+02  0.107039D+02 -0.130093D+01  0.280750D+02
      5   0.132524D+02  0.577978D+01 -0.268494D+02  0.218769D+02 -0.222653D+02
      6  -0.228518D+02  0.109962D+02  0.318283D+02 -0.352049D+02  0.413868D+02
                61            62            63            64            65 
      1  -0.972459D+01  0.198034D+02  0.168531D+02  0.122918D+02 -0.425108D+01
      2   0.307910D+02 -0.243127D+02  0.184629D+02  0.124555D+02 -0.174928D+02
      3  -0.210665D+02  0.450935D+01 -0.353160D+02 -0.247473D+02  0.217439D+02
      4   0.391674D+02 -0.213231D+01  0.191642D+02 -0.486805D+02  0.445414D+02
      5  -0.217455D+02  0.198158D+02 -0.110043D+02  0.158194D+02 -0.139578D+02
      6   0.291263D+02 -0.396083D+00  0.162263D+02 -0.211168D+02  0.229274D+02
                66            67            68            69            70 
      1  -0.162465D+00 -0.542927D+01 -0.235150D+01  0.160084D+01  0.216929D+01
      2   0.286988D+01 -0.218886D+02  0.329472D+02 -0.474164D+01 -0.404969D+01
      3  -0.270742D+01  0.273179D+02 -0.305957D+02  0.314080D+01  0.188040D+01
      4  -0.106677D+02  0.464745D+02 -0.504299D+02  0.681683D+01 -0.435977D+00
      5   0.728012D+01 -0.995905D+01  0.102810D+02 -0.465701D+01  0.636199D+01
      6  -0.968352D+01  0.188390D+02 -0.238055D+02  0.735032D+01 -0.546796D+01
                71            72            73            74            75 
      1  -0.204294D+01 -0.125092D+00 -0.309575D+02  0.134757D+01 -0.300270D+02
      2   0.737382D+01  0.263784D+01 -0.217594D+02  0.660419D+01 -0.265916D+02
      3  -0.533088D+01 -0.251275D+01  0.527169D+02 -0.795175D+01  0.566186D+02
      4  -0.315559D+01 -0.592872D+01 -0.470570D+02  0.174102D+02 -0.351181D+02
      5  -0.489455D+01  0.220921D+01  0.211819D+02 -0.184324D+02  0.215548D+02
      6   0.354813D+01 -0.269937D+01 -0.390910D+02  0.750530D+01 -0.347041D+02
                76            77            78            79            80 
      1   0.454204D+02 -0.377328D+02  0.344957D+02  0.605137D+00 -0.539241D+01
      2   0.411322D+02  0.366900D+02  0.799021D+02  0.102188D+02  0.101704D+02
      3  -0.865527D+02  0.104276D+01 -0.114398D+03 -0.108239D+02 -0.477803D+01
      4   0.484141D+02 -0.332626D+02  0.453930D+02 -0.766480D+00 -0.740457D+01
      5  -0.468328D+02  0.515462D+01 -0.462903D+02 -0.699178D+01 -0.588845D+01
      6   0.586230D+02 -0.159318D+02  0.699033D+02  0.353825D+01  0.112230D+02
                81            82            83            84            85 
      1  -0.401942D+01 -0.691231D+02  0.112315D+03 -0.220485D+02 -0.192392D+02
      2   0.334238D+02  0.494590D+01 -0.922361D+02 -0.323285D+02 -0.103997D+02
      3  -0.294044D+02  0.641772D+02 -0.200794D+02  0.543771D+02  0.296389D+02
      4   0.908373D-01 -0.429828D+02  0.251333D+02 -0.249802D+02 -0.263757D+02
      5  -0.202258D+02  0.171869D+02 -0.309331D+01  0.284876D+02  0.134984D+02
      6   0.104013D+02 -0.257274D+02 -0.722808D+01 -0.467891D+02 -0.100378D+02
                86            87            88            89            90 
      1  -0.104919D+02 -0.139806D+01 -0.560575D+02  0.995493D+02 -0.414738D+02
      2   0.147654D+02 -0.445634D+02  0.539437D+01 -0.105430D+03 -0.190423D+02
      3  -0.427357D+01  0.459614D+02  0.506632D+02  0.588087D+01  0.605161D+02
      4   0.330820D+02 -0.674687D+01 -0.155415D+02  0.164662D+02 -0.307527D+02
      5  -0.704320D+00  0.206669D+02  0.323071D+02 -0.822313D+01  0.268324D+02
      6  -0.149452D+02 -0.122521D+02 -0.485907D+02  0.402966D+02 -0.574497D+02
                91            92            93            94            95 
      1   0.657787D+02 -0.283619D+02  0.444799D+02 -0.125220D+02  0.891000D+01
      2   0.273037D+02  0.180589D+02  0.545732D+02 -0.441722D+02 -0.120258D+02
      3  -0.930824D+02  0.103030D+02 -0.990531D+02  0.566941D+02  0.311581D+01
      4   0.641372D+02 -0.300733D+02  0.504204D+02 -0.321960D+02  0.653841D+01
      5  -0.377501D+02  0.589541D+01 -0.337194D+02  0.308013D+02 -0.103769D+02
      6   0.594538D+02 -0.135877D+02  0.669614D+02 -0.453653D+02  0.661262D+01
                96            97            98            99           100 
      1  -0.117098D+02  0.235026D+02 -0.882809D+01  0.196673D+02 -0.284898D+02
      2  -0.595336D+02 -0.978180D+01  0.503857D+01 -0.283639D+01 -0.217151D+02
      3   0.712434D+02 -0.137208D+02  0.378952D+01 -0.168309D+02  0.502049D+02
      4  -0.396130D+02  0.149367D+02 -0.248636D+02  0.106052D+02 -0.364420D+02
      5   0.381915D+02 -0.387408D+00 -0.515195D+01 -0.233035D+01  0.448079D+01
      6  -0.485777D+02  0.761276D+01 -0.277247D+01  0.742880D+01 -0.296871D+02
               101           102           103           104           105 
      1  -0.281019D+02 -0.213343D+02 -0.128037D+03  0.194459D+03 -0.839592D+02
      2   0.182387D+02 -0.277533D+02  0.528055D+02 -0.150710D+03  0.333576D+02
      3   0.986324D+01  0.490876D+02  0.752311D+02 -0.437496D+02  0.506016D+02
      4   0.356768D+02 -0.286812D+02 -0.554964D+02 -0.100939D+02 -0.445830D+02
      5   0.129388D+02  0.162606D+02  0.685864D+01 -0.452505D+02  0.200972D+01
      6   0.547346D+01 -0.300929D+02 -0.584021D+02  0.218512D+02 -0.346029D+02
               106           107           108           109           110 
      1  -0.855110D+02  0.767675D+02 -0.519104D+02 -0.158221D+02  0.579519D+02
      2   0.201356D+02 -0.503530D+02 -0.742147D+01  0.552016D+02 -0.653722D+02
      3   0.653753D+02 -0.264145D+02  0.593319D+02 -0.393795D+02  0.742033D+01
      4  -0.444318D+02  0.103492D+02 -0.342589D+02  0.530495D+02  0.262976D+02
      5   0.869655D+01 -0.176785D+02  0.179233D+01  0.671841D+01  0.121499D+02
      6  -0.433858D+02  0.122251D+02 -0.421483D+02  0.351910D+02 -0.114113D+02
               111           112           113           114           115 
      1   0.252120D+02  0.152506D+03 -0.225415D+03  0.975984D+02  0.592709D+02
      2   0.105563D+02 -0.616643D+02  0.173342D+03 -0.240457D+02 -0.360740D+01
      3  -0.357683D+02 -0.908418D+02  0.520733D+02 -0.735527D+02 -0.556635D+02
      4   0.415070D+02  0.607783D+02 -0.135924D+02  0.407464D+02  0.409798D+02
      5   0.371297D+01 -0.140456D+02  0.510969D+02 -0.797034D+01 -0.497282D+01
      6   0.251745D+02  0.605605D+02 -0.301595D+02  0.428559D+02  0.435672D+02
               116           117           118           119           120 
      1  -0.622434D+02  0.385545D+02  0.114935D+03 -0.184378D+03  0.639476D+02
      2   0.248576D+02  0.284466D+01 -0.508182D+02  0.175252D+03 -0.692384D+01
      3   0.373858D+02 -0.413991D+02 -0.641169D+02  0.912516D+01 -0.570237D+02
      4  -0.136715D+02  0.411761D+02  0.512711D+02 -0.536250D+02  0.203596D+02
      5   0.356003D+02 -0.598616D+01 -0.257384D+02  0.137240D+02 -0.230409D+02
      6  -0.307858D+01  0.403578D+02  0.319314D+02 -0.428228D+02  0.256721D+02
               121           122           123           124           125 
      1  -0.606475D+02  0.945059D+02 -0.239252D+02  0.585440D+02 -0.597442D+02
      2   0.487618D+02 -0.610389D+02  0.114316D+02 -0.399089D+02  0.452288D+02
      3   0.118857D+02 -0.334670D+02  0.124937D+02 -0.186351D+02  0.145154D+02
      4   0.860156D+01  0.249469D+02 -0.321274D+01  0.159123D+02 -0.461782D+02
      5   0.664192D+01 -0.214199D+02  0.623518D+01 -0.438529D+01  0.426703D+01
      6  -0.139258D+02 -0.754553D+01 -0.190195D+02  0.263667D+02 -0.104494D+02
               126           127           128           129           130 
      1   0.178678D+02 -0.129134D+03  0.159342D+03 -0.503262D+02 -0.861326D+01
      2   0.355753D+01  0.781296D+02 -0.626722D+02  0.340014D+02  0.501798D+01
      3  -0.214254D+02  0.510041D+02 -0.966693D+02  0.163248D+02  0.359528D+01
      4   0.116086D+02 -0.123006D+02 -0.140852D+03 -0.250836D+01 -0.317736D+01
      5  -0.211537D+02 -0.154988D+02 -0.117564D+03  0.126290D+01 -0.208905D+02
      6   0.525103D+02 -0.212461D+02  0.100509D+02 -0.914792D+01  0.162693D+02
               131           132           133           134           135 
      1  -0.778295D+02  0.155734D+02 -0.332022D+02  0.222865D+02 -0.126108D+02
      2   0.950949D+02 -0.255759D+02  0.274893D+02  0.108165D+02  0.449877D+01
      3  -0.172655D+02  0.100024D+02  0.571293D+01 -0.331031D+02  0.811199D+01
      4  -0.645642D+02  0.132924D+02  0.601554D+01 -0.578689D+02  0.321304D+01
      5  -0.502001D+02  0.704227D+01 -0.184637D+02 -0.486709D+02 -0.699626D+01
      6  -0.378843D+01 -0.349435D+01 -0.218082D+00  0.195714D+01  0.119691D+01
               136           137           138           139           140 
      1   0.151705D+03 -0.161177D+03  0.543298D+02 -0.309323D+02  0.708665D+02
      2  -0.815449D+02  0.575571D+02 -0.222912D+02  0.247996D+02 -0.104068D+03
      3  -0.701603D+02  0.103620D+03 -0.320386D+02  0.613276D+01  0.332019D+02
      4  -0.921720D+00  0.129557D+03 -0.911576D+01  0.519947D+02  0.769075D+02
      5   0.160137D+02  0.124179D+03 -0.953497D+01  0.224406D+02  0.586303D+02
      6   0.151063D+02 -0.866968D+01  0.111424D+02  0.179962D+02 -0.438866D+01
               141           142           143           144           145 
      1  -0.554546D+01  0.125918D+02 -0.317081D+02  0.231876D+02  0.315221D+02
      2   0.845733D+01 -0.100460D+02 -0.528463D+01 -0.247082D+02  0.112108D+02
      3  -0.291187D+01 -0.254580D+01  0.369928D+02  0.152058D+01 -0.427328D+02
      4   0.162294D+02  0.928562D+01  0.577906D+02  0.104172D+02  0.587158D+02
      5   0.464766D+01  0.355526D+02  0.598526D+02  0.102501D+02 -0.147208D+02
      6   0.660995D+01  0.177899D+02 -0.200211D+01  0.982011D+00  0.225908D+02
               146           147           148           149           150 
      1  -0.321297D+02  0.835312D+01 -0.145412D+02  0.224147D+02 -0.392865D+02
      2   0.118676D+02  0.351102D+01 -0.142343D+02  0.605626D+02  0.193122D+02
      3   0.202620D+02 -0.118641D+02  0.287755D+02 -0.829773D+02  0.199743D+02
      4   0.562182D+02  0.284408D+02 -0.633459D+02 -0.126435D+03 -0.385520D+02
      5   0.262295D+02  0.737411D+01 -0.412265D+02 -0.106584D+03 -0.196732D+02
      6   0.983184D+01  0.229345D+02 -0.511483D+02  0.137424D+01 -0.304765D+02
               151           152           153           154           155 
      1  -0.265174D+02 -0.195294D+02  0.594236D+01 -0.455938D+02  0.198739D+02
      2  -0.120965D+02  0.304007D+02 -0.227105D+02 -0.189236D+02  0.546857D+02
      3   0.386139D+02 -0.108713D+02  0.167681D+02  0.645174D+02 -0.745596D+02
      4  -0.408745D+02 -0.275311D+02  0.745760D+01 -0.756892D+02 -0.419924D+02
      5   0.234307D+02 -0.232520D+02  0.268193D+02 -0.158496D+02 -0.700500D+02
      6   0.880534D+01  0.450844D+01  0.930212D+01 -0.570070D+02  0.333651D+01
               156           157           158           159           160 
      1  -0.462635D+02  0.619249D+02 -0.109872D+02  0.452286D+02  0.751799D+00
      2   0.769075D+01 -0.207496D+02 -0.105598D+02 -0.284914D+02 -0.284801D+02
      3   0.385727D+02 -0.411754D+02  0.215471D+02 -0.167372D+02  0.277283D+02
      4  -0.611886D+02  0.727162D+02  0.802109D+02  0.144857D+02 -0.277082D+02
      5  -0.176450D+02  0.231999D+02  0.417817D+02  0.106950D+02  0.114625D+02
      6  -0.446249D+02  0.212050D+02 -0.177938D+02  0.104900D+02 -0.135426D+02
               161           162           163           164           165 
      1  -0.105321D+02 -0.280761D+02 -0.965842D+02 -0.744884D+02  0.114192D+01
      2  -0.178491D+02 -0.106628D+02  0.640865D+02  0.959880D+02 -0.225669D+00
      3   0.283812D+02  0.387389D+02  0.324977D+02 -0.214996D+02 -0.916253D+00
      4  -0.251699D+02 -0.605979D+00  0.715470D+02 -0.467203D+01 -0.145347D+02
      5   0.160551D+02  0.183131D+02 -0.560438D+02 -0.728194D+02  0.128630D+01
      6   0.265075D+02  0.355360D+01 -0.752213D+01  0.319261D+02  0.152920D+01
               166           167           168           169           170 
      1   0.725644D+02  0.580064D+02 -0.907148D+00  0.260941D+02  0.109308D+02
      2  -0.498485D+02 -0.120958D+03  0.946552D+01 -0.192438D+02 -0.261465D+02
      3  -0.227159D+02  0.629518D+02 -0.855837D+01 -0.685024D+01  0.152157D+02
      4  -0.151388D+02  0.105872D+03 -0.110730D+02 -0.388307D-02  0.333749D+02
      5   0.484471D+02  0.102469D+03 -0.870461D+01  0.645464D+01  0.354792D+02
      6  -0.135821D+02 -0.179239D+02 -0.354223D+00  0.783136D+00 -0.566320D+01
               171           172           173           174           175 
      1  -0.667608D+01  0.116889D+03  0.227785D+02 -0.930944D+01 -0.572194D+02
      2  -0.161236D+01 -0.690353D+02 -0.432371D+02  0.133269D+02  0.444260D+02
      3   0.828844D+01 -0.478532D+02  0.204586D+02 -0.401748D+01  0.127934D+02
      4   0.411199D+00 -0.889521D+02 -0.104727D+02 -0.189594D+01  0.747155D+01
      5   0.218989D+01  0.520138D+02  0.640994D+02 -0.102164D+02 -0.684287D+02
      6  -0.253475D+01 -0.127285D+02 -0.152911D+02 -0.231911D+01  0.194976D+01
               176           177           178           179           180 
      1  -0.881614D+02 -0.300287D+01 -0.209153D+01 -0.182009D+02 -0.104857D+01
      2   0.168694D+03  0.326763D+01  0.108110D+02  0.406965D+02 -0.770730D+00
      3  -0.805331D+02 -0.264766D+00 -0.871944D+01 -0.224956D+02  0.181929D+01
      4  -0.112208D+03 -0.186088D+01 -0.553494D+01 -0.235410D+02 -0.167338D+02
      5  -0.140149D+03  0.641688D+01  0.373304D+00 -0.484319D+02 -0.869116D+01
      6   0.485874D+02  0.433015D-01 -0.134100D+02  0.272155D+02 -0.485498D+00
               181           182           183           184           185 
      1  -0.621547D+02  0.105693D+02  0.560949D+01 -0.156094D+03  0.548045D+02
      2   0.282588D+02 -0.128305D+02 -0.769996D+01  0.105218D+03 -0.344026D+02
      3   0.338959D+02  0.226117D+01  0.209048D+01  0.508757D+02 -0.204019D+02
      4   0.622475D+02  0.257804D+02  0.923879D+01  0.523324D+02 -0.237826D+02
      5  -0.308732D+02 -0.185623D+02  0.137504D+02 -0.414424D+02 -0.348318D+02
      6   0.140600D+02 -0.991469D+00 -0.244039D+01  0.217594D+02 -0.516655D+01
               186           187           188           189           190 
      1  -0.232856D+02 -0.783322D+02  0.364288D+02  0.171283D+02 -0.413228D+00
      2   0.996842D+01  0.532217D+02 -0.323264D+02 -0.137296D+02 -0.326072D+01
      3   0.133171D+02  0.251105D+02 -0.410244D+01 -0.339867D+01  0.367395D+01
      4   0.303253D+02  0.176451D+02  0.159788D+02 -0.199484D+02 -0.123413D+02
      5  -0.582715D+01  0.323013D+02 -0.589562D+02 -0.116883D+02 -0.133743D+02
      6   0.901556D+01 -0.836503D+01  0.203222D+02 -0.307760D+01 -0.625781D+00
               191           192           193           194           195 
      1   0.509143D+02 -0.281328D+02  0.174538D+03 -0.133184D+03  0.101725D+02
      2  -0.457979D+02  0.160714D+02 -0.101316D+03  0.899450D+02  0.429801D+01
      3  -0.511645D+01  0.120613D+02 -0.732218D+02  0.432393D+02 -0.144705D+02
      4   0.202799D+02  0.410469D+01 -0.829540D+02  0.506003D+02 -0.246511D+02
      5  -0.161552D+01  0.971329D+01 -0.123838D+02  0.602554D+02 -0.815855D+01
      6  -0.181706D+01  0.140774D+01 -0.981453D+01 -0.442193D-01  0.414344D+00
               196           197           198           199           200 
      1   0.110675D+02 -0.413221D+02  0.263775D+02  0.522667D+02  0.431767D+02
      2  -0.131166D+02  0.253044D+02 -0.254796D+02 -0.500016D+02 -0.434875D+02
      3   0.204908D+01  0.160177D+02 -0.897900D+00 -0.226514D+01  0.310715D+00
      4  -0.506738D+02  0.735065D+01 -0.107854D+02 -0.400337D+02 -0.279283D+02
      5   0.529331D+02  0.280726D+02  0.213682D+02  0.192900D+02  0.327489D+02
      6  -0.152145D+02 -0.710449D+00 -0.114965D+02  0.488733D+01 -0.196937D+02
               201           202           203           204           205 
      1  -0.796776D+01 -0.921285D+01  0.278528D+02  0.116195D+02 -0.187645D+01
      2   0.169072D+01  0.285406D+02 -0.413700D+02 -0.210719D+02  0.142271D+02
      3   0.627705D+01 -0.193278D+02  0.135171D+02  0.945238D+01 -0.123506D+02
      4   0.119068D+02 -0.132918D+03 -0.359807D+02  0.316915D+02 -0.522984D+02
      5   0.503399D+01  0.602757D+02  0.165134D+02 -0.137349D+02  0.285143D+02
      6  -0.491689D+01  0.240718D+02 -0.780677D+01 -0.706910D+01  0.117833D+02
               206           207           208           209           210 
      1   0.377229D+01  0.639962D+01  0.413692D+01  0.115413D+03  0.179035D+02
      2  -0.879048D+01 -0.133583D+02 -0.761004D+01 -0.162276D+03 -0.131719D+02
      3   0.501819D+01  0.695871D+01  0.347313D+01  0.468632D+02 -0.473162D+01
      4  -0.852867D+01  0.109437D+02 -0.504035D+02  0.389977D+02  0.217552D+02
      5   0.100397D+02 -0.319734D+01  0.670177D+02  0.814763D+02  0.160194D+01
      6  -0.301035D+01 -0.636835D+01  0.533180D+01 -0.461232D+02 -0.203747D+02
               211           212           213           214           215 
      1   0.202969D+02  0.658518D+02  0.244375D+01 -0.434654D+01  0.209929D+02
      2  -0.305416D+02 -0.122430D+03 -0.373471D+01  0.187113D+02 -0.446931D+02
      3   0.102447D+02  0.565779D+02  0.129096D+01 -0.143648D+02  0.237003D+02
      4   0.178614D+01  0.651067D+02  0.201190D+02 -0.377665D+01  0.287321D+02
      5   0.377768D+02  0.105362D+03 -0.172705D+01  0.394207D+02  0.164984D+02
      6   0.148195D+02 -0.487917D+02 -0.245751D+01 -0.389904D+02  0.583357D+01
               216           217           218           219           220 
      1  -0.543516D+01  0.224594D+02 -0.788705D+02 -0.154589D+02 -0.250168D+02
      2   0.609680D+00 -0.336349D+02  0.123010D+03  0.177124D+02  0.240234D+02
      3   0.482548D+01  0.111754D+02 -0.441395D+02 -0.225356D+01  0.993451D+00
      4  -0.278600D+02  0.116398D+03 -0.476206D+02 -0.436303D+02 -0.838015D+01
      5  -0.111525D+02 -0.816383D+02 -0.875237D+02  0.523780D+01  0.164459D+02
      6   0.109793D+02 -0.218843D+02  0.388664D+02  0.191568D+02  0.667530D+00
               221           222           223           224           225 
      1  -0.222634D+02  0.185617D+02 -0.138145D+02  0.522239D+01 -0.243106D+02
      2   0.391200D+02 -0.264985D+02  0.631900D+01 -0.336880D+02  0.151434D+02
      3  -0.168566D+02  0.793684D+01  0.749546D+01  0.284656D+02  0.916715D+01
      4  -0.416291D+02  0.490000D+01 -0.877091D+01 -0.484990D+01  0.903284D+00
      5  -0.132829D+02 -0.616458D+01  0.587511D+01 -0.194100D+02 -0.130843D+02
      6  -0.185798D+02 -0.247996D+00  0.187796D+02  0.510192D+02  0.169350D+02
               226           227           228           229           230 
      1  -0.699274D+02  0.529332D+00  0.133896D+02  0.169866D+02 -0.406469D+02
      2   0.637816D+02  0.199164D+01 -0.146851D+02 -0.358733D+02  0.628766D+02
      3   0.614581D+01 -0.252098D+01  0.129541D+01  0.188867D+02 -0.222297D+02
      4  -0.234361D+02  0.293615D+02  0.230002D+02  0.135406D+03  0.416222D+02
      5   0.250584D+02  0.791260D+01 -0.920227D+01 -0.761833D+02 -0.299542D+02
      6   0.127773D+02  0.626850D+00 -0.436971D+01 -0.262565D+02  0.120640D+02
               231           232           233           234           235 
      1  -0.910562D+01  0.137333D+02 -0.273526D+01 -0.204290D+02  0.557643D+02
      2   0.272463D+02 -0.185167D+02  0.707406D+01  0.186513D+02 -0.474906D+02
      3  -0.181407D+02  0.478344D+01 -0.433880D+01  0.177772D+01 -0.827371D+01
      4  -0.339598D+02  0.459840D+02  0.125390D+02 -0.131041D+02 -0.321559D+02
      5   0.173231D+02 -0.303393D+02 -0.762211D+01  0.107272D+02 -0.568519D+01
      6   0.984794D+01 -0.112975D+02  0.166551D+02  0.817399D+01 -0.129574D+01
               236           237           238           239           240 
      1   0.489999D+01 -0.153744D+02 -0.599086D+01  0.694599D+01  0.167776D+02
      2  -0.241961D+02  0.826113D+01  0.103165D+02 -0.819648D-01 -0.225064D+02
      3   0.192961D+02  0.711325D+01 -0.432560D+01 -0.686403D+01  0.572880D+01
      4  -0.641983D+02 -0.117685D+02  0.337022D+02  0.184985D+02 -0.112392D+02
      5  -0.253380D+01 -0.111329D+01  0.244054D+01 -0.118742D+02 -0.156028D+01
      6   0.555885D+01  0.134395D+01 -0.827545D+01 -0.249527D+02  0.212509D+01
               241           242           243           244           245 
      1  -0.111831D+02  0.202551D+02 -0.867854D+01 -0.811973D+01 -0.303082D+02
      2   0.818341D+01 -0.254164D+02  0.767953D+01 -0.272246D+01  0.441255D+02
      3   0.299969D+01  0.516130D+01  0.999013D+00  0.108422D+02 -0.138174D+02
      4   0.280920D+02  0.132964D+02  0.138592D+02  0.350761D+02  0.444782D+02
      5   0.885417D+01  0.908748D+01  0.882196D+01 -0.223155D+02  0.149716D+01
      6   0.936949D+01  0.228283D+02  0.109279D+02 -0.873219D+00  0.482483D+01
               246           247           248           249           250 
      1  -0.789180D+01  0.559391D+02 -0.167309D+02 -0.248573D+02  0.414471D+02
      2   0.128660D+02 -0.610624D+02 -0.642762D-01  0.208014D+02 -0.399447D+02
      3  -0.497424D+01  0.512328D+01  0.167952D+02  0.405586D+01 -0.150234D+01
      4   0.321174D+01 -0.127238D+02 -0.423800D+02 -0.256703D+02 -0.178551D+02
      5   0.213613D+02 -0.492043D+02 -0.101843D+02  0.109014D+02  0.156399D+02
      6   0.104980D+02 -0.249170D+02 -0.574654D+01  0.751637D+01  0.175904D+02
               251           252           253           254           255 
      1   0.581361D+01 -0.734805D+01  0.217217D+02  0.228548D+02 -0.904966D+01
      2  -0.175616D+02  0.345517D+01 -0.278699D+02  0.502880D+01  0.920231D+01
      3   0.117480D+02  0.389288D+01  0.614819D+01 -0.278836D+02 -0.152648D+00
      4  -0.421012D+02  0.139412D+02  0.790977D+02  0.192612D+02 -0.133435D+02
      5   0.980386D+01 -0.631701D+01 -0.331755D+02 -0.719566D+01  0.177189D+01
      6   0.175380D+02 -0.917127D+01 -0.628766D+01  0.822682D+01  0.532604D+01
               256           257           258           259           260 
      1  -0.292870D+02  0.836386D+01  0.111656D+02 -0.765151D+01 -0.648267D+01
      2   0.382604D+02  0.412172D+01 -0.165831D+01  0.167836D+02  0.760429D+01
      3  -0.897348D+01 -0.124856D+02 -0.950729D+01 -0.913207D+01 -0.112163D+01
      4  -0.115410D+02  0.413028D+02  0.163298D+02 -0.242180D+02  0.105349D+02
      5   0.116856D+02  0.877330D+01  0.106994D+02  0.197205D+02  0.963345D+01
      6   0.143884D+02 -0.112428D+01 -0.336220D+01  0.197642D+02  0.263614D+01
               261           262           263           264           265 
      1   0.768443D+01 -0.503596D+02 -0.129016D+02  0.173587D+02 -0.134625D+02
      2  -0.953886D+01  0.595736D+02 -0.793050D+01 -0.273517D+02  0.946820D+01
      3   0.185443D+01 -0.921397D+01  0.208321D+02  0.999300D+01  0.399434D+01
      4   0.151117D+02 -0.746268D+02 -0.216848D+02  0.939024D+01  0.102538D+02
      5  -0.546356D+01  0.545053D+02 -0.964456D+01 -0.204467D+02  0.161231D+02
      6  -0.118918D+02  0.772858D+01  0.208855D+01 -0.386318D+01 -0.310405D+01
               266           267           268           269           270 
      1   0.795083D+01  0.787807D+01  0.109891D+01  0.109162D+02 -0.125689D+02
      2  -0.148196D+02 -0.795000D+01 -0.276862D+01 -0.367529D+01 -0.930978D+01
      3   0.686879D+01  0.719238D-01  0.166971D+01 -0.724090D+01  0.218786D+02
      4  -0.138020D+02  0.105630D+00  0.136463D+02  0.737816D+01 -0.955479D+01
      5   0.204092D+01 -0.110539D+02  0.127053D+01 -0.101978D+02  0.134994D+01
      6  -0.709717D+01  0.101530D+01 -0.298469D+01  0.257196D+01 -0.954001D+01
               271           272           273           274           275 
      1  -0.998791D+01  0.224347D+02 -0.150193D+01  0.166179D+02 -0.393176D+02
      2   0.313194D+02 -0.531405D+02 -0.364911D+00 -0.381125D+02  0.832540D+02
      3  -0.213315D+02  0.307058D+02  0.186684D+01  0.214946D+02 -0.439364D+02
      4  -0.330801D+02  0.454683D+02  0.191894D+01  0.311956D+02 -0.510578D+02
      5  -0.266112D+01  0.393393D+01  0.310268D+01  0.544379D+01 -0.797641D+01
      6  -0.323075D+01  0.574604D+01 -0.664772D+01 -0.361425D+01  0.278151D+01
               276           277           278           279           280 
      1  -0.423620D+01  0.180049D+01 -0.874922D+01 -0.270175D+01 -0.259341D+01
      2   0.629149D+01 -0.617509D+01  0.147376D+02  0.299294D+01  0.599118D+01
      3  -0.205529D+01  0.437460D+01 -0.598840D+01 -0.291192D+00 -0.339777D+01
      4  -0.516955D+01 -0.367195D+01 -0.309013D+00 -0.676802D+01  0.750183D+01
      5  -0.239330D+01  0.312162D+01 -0.439983D+01 -0.154497D+00  0.121496D+01
      6   0.500806D+01 -0.545876D+01  0.793965D+01  0.134253D+01  0.836681D+01
               281           282           283           284           285 
      1  -0.873045D+01 -0.369031D+01 -0.724708D+01 -0.622432D+02 -0.304132D+02
      2   0.119954D+02  0.525289D+01  0.100830D+02  0.977304D+02  0.406789D+02
      3  -0.326490D+01 -0.156258D+01 -0.283596D+01 -0.354871D+02 -0.102656D+02
      4   0.148839D+02  0.991421D+01  0.731213D+01  0.262753D+02  0.100156D+02
      5   0.444387D+01  0.275800D+01  0.176548D+01 -0.108381D+01  0.582331D-01
      6   0.931118D+01  0.999829D+01  0.516474D+01  0.509699D+02  0.323805D+02
               286           287           288           289           290 
      1  -0.520240D+01 -0.330124D+02 -0.218475D+02  0.107827D+03  0.285124D+02
      2   0.113883D+02  0.460088D+02  0.268368D+02 -0.672036D+02 -0.156833D+02
      3  -0.618594D+01 -0.129964D+02 -0.498936D+01 -0.406231D+02 -0.128290D+02
      4   0.998204D+01  0.190305D+02  0.122448D+02  0.661217D+02  0.250348D+02
      5   0.168687D+01  0.206424D+01  0.328866D+01  0.585302D+02  0.148167D+02
      6   0.484432D+01  0.366404D+02  0.234344D+02  0.174822D+02  0.702970D+01
               291           292           293           294           295 
      1   0.391352D+02  0.683805D+01  0.153184D+02  0.444166D+01  0.380268D+02
      2  -0.289126D+02 -0.165497D+01 -0.550578D+01 -0.285775D+01 -0.230341D+02
      3  -0.102226D+02 -0.518308D+01 -0.981257D+01 -0.158391D+01 -0.149927D+02
      4   0.256058D+02  0.253069D+02  0.135092D+02  0.120644D+02  0.281399D+02
      5   0.330542D+02  0.122489D+02  0.592909D+01  0.814909D+01  0.257310D+02
      6   0.101383D+02  0.971030D+01  0.471150D+01  0.653375D+01  0.843307D+01
               296           297           298           299           300 
      1   0.753043D+01  0.169331D+02  0.648188D+00  0.562483D+01 -0.545352D+00
      2  -0.472444D+01 -0.124455D+02  0.495954D+01  0.158103D+01  0.128901D+01
      3  -0.280599D+01 -0.448760D+01 -0.560773D+01 -0.720586D+01 -0.743656D+00
      4   0.101647D+02  0.129567D+02  0.210698D+02  0.265351D+02  0.154724D+02
      5   0.105485D+02  0.163485D+02  0.994588D+01  0.133103D+02  0.107291D+02
      6   0.510024D+01  0.546769D+01  0.111746D+02  0.138335D+02  0.885689D+01
               301           302           303           304           305 
      1  -0.743963D+01 -0.351858D+02 -0.169341D+02 -0.641931D+01 -0.919591D+01
      2   0.197778D+02  0.553124D+02  0.214172D+02  0.859427D+01  0.214778D+02
      3  -0.123382D+02 -0.201266D+02 -0.448304D+01 -0.217496D+01 -0.122819D+02
      4   0.357065D+02  0.707415D+02  0.344337D+02  0.226315D+02  0.408870D+02
      5   0.126751D+02  0.272497D+02  0.173224D+02  0.123356D+02  0.147608D+02
      6   0.211470D+02  0.525517D+02  0.314126D+02  0.144738D+02  0.280026D+02
               306           307           308           309           310 
      1  -0.945788D+01  0.802187D+02 -0.451792D+02 -0.349322D+01 -0.438759D+02
      2   0.944462D+01 -0.301425D+02  0.144775D+02  0.208013D+01  0.717600D+01
      3   0.132581D-01 -0.500762D+02  0.307018D+02  0.141309D+01  0.366999D+02
      4   0.214320D+02 -0.783851D+02  0.524653D+02  0.143224D+01  0.684814D+02
      5   0.135919D+02 -0.106847D+02  0.220875D+01  0.818338D+01  0.102826D+02
      6   0.217840D+02 -0.123718D+01  0.182238D+01 -0.365862D+01 -0.150887D+01
               311           312           313           314           315 
      1   0.319582D+02  0.423600D+01 -0.517216D+01  0.249074D+01  0.211929D+01
      2   0.528763D+00 -0.199735D+01  0.619168D+00  0.122294D+01 -0.628856D+00
      3  -0.324870D+02 -0.223865D+01  0.455299D+01 -0.371368D+01 -0.149043D+01
      4  -0.614539D+02 -0.503407D+01  0.112146D+02 -0.117813D+02 -0.391739D+01
      5  -0.126316D+02 -0.708801D+01  0.697551D+01  0.869586D-01 -0.125722D+01
      6   0.252393D+01  0.431026D+01 -0.279823D+01  0.121453D+01  0.195100D+01
               316           317           318           319           320 
      1   0.168201D+03  0.834706D+01  0.319201D+02  0.202349D+02  0.106669D+02
      2  -0.103737D+03 -0.519649D+01 -0.223593D+02 -0.138500D+02 -0.695669D+01
      3  -0.644637D+02 -0.315057D+01 -0.956078D+01 -0.638491D+01 -0.371022D+01
      4   0.657431D+00  0.673374D+01 -0.129830D+01  0.195796D+02  0.502112D+01
      5   0.440308D+02  0.129343D+01  0.200113D+02  0.106582D+02  0.861619D+01
      6  -0.665757D+01  0.891674D+00 -0.231890D+01  0.205440D+01 -0.662619D+00
               321           322           323           324           325 
      1   0.692671D+01  0.446695D+02  0.419146D+01  0.129062D+02  0.172980D+02
      2  -0.554370D+01 -0.302360D+02 -0.136914D+01 -0.951765D+01  0.139608D+02
      3  -0.138301D+01 -0.144335D+02 -0.282232D+01 -0.338854D+01 -0.312589D+02
      4   0.408342D+01  0.325748D+01  0.168769D+01  0.497971D+00 -0.701624D+02
      5   0.455503D+01  0.167744D+02 -0.392856D+01  0.799166D+01 -0.157746D+02
      6   0.121821D+01 -0.112218D+01  0.217480D+01  0.501860D+00  0.116426D+02
               326           327           328           329           330 
      1  -0.631329D+01 -0.300096D+01  0.450712D+01 -0.914475D+01 -0.236359D+01
      2  -0.231580D+02 -0.282149D+01 -0.288600D+02  0.429341D+02  0.814851D+01
      3   0.294713D+02  0.582245D+01  0.243529D+02 -0.337893D+02 -0.578492D+01
      4   0.641848D+02  0.167033D+02  0.533199D+02 -0.693598D+02 -0.173334D+02
      5   0.158679D+02  0.987897D+01  0.149869D+02 -0.138209D+02 -0.841447D+01
      6  -0.129588D+02 -0.849831D+01 -0.153647D+02  0.169480D+02  0.111259D+02
               331           332           333           334           335 
      1   0.321856D+00 -0.623646D+00  0.978732D-01 -0.749157D+01 -0.165542D+02
      2  -0.942691D+01  0.602901D+01  0.336075D+01  0.112540D+02  0.222887D+02
      3   0.910506D+01 -0.540537D+01 -0.345862D+01 -0.376242D+01 -0.573447D+01
      4   0.164697D+02 -0.169359D+02 -0.743128D+01  0.392941D+01  0.170091D+02
      5   0.537358D+01 -0.741882D+01 -0.463737D+01 -0.145537D+01  0.253712D+01
      6  -0.323318D+01  0.961481D+01  0.420708D+01  0.442048D+01  0.706886D+01
               336           337           338           339           340 
      1  -0.412210D+01 -0.280513D+01 -0.895937D+02 -0.244617D+02 -0.219589D+00
      2   0.488901D+01  0.275553D+01  0.133923D+03  0.317303D+02  0.221911D+01
      3  -0.766907D+00  0.495940D-01 -0.443296D+02 -0.726867D+01 -0.199952D+01
      4   0.340332D+01  0.613621D+01 -0.140999D+02 -0.394719D+01 -0.180436D+00
      5   0.248819D+01  0.106474D+01 -0.666563D+01 -0.340463D+01  0.361270D+01
      6   0.341378D+01  0.230103D+01  0.505271D+02  0.223321D+02 -0.286052D+01
               341           342           343           344           345 
      1  -0.302283D+02 -0.104252D+02 -0.333709D+01 -0.647727D+01 -0.135236D+01
      2   0.441730D+02  0.129105D+02  0.122840D+02  0.188552D+02  0.379148D+01
      3  -0.139447D+02 -0.248525D+01 -0.894695D+01 -0.123779D+02 -0.243912D+01
      4  -0.797559D+01 -0.133058D+01  0.151852D+02  0.269788D+02  0.626896D+01
      5  -0.908186D+00 -0.473308D+00  0.190899D+01  0.533185D+01  0.400851D+01
      6   0.184273D+02  0.111185D+02  0.474679D+01  0.441415D+01  0.287158D+01
               346           347           348           349           350 
      1  -0.158863D+02 -0.599159D+02 -0.154509D+02 -0.384547D+01 -0.211328D+02
      2   0.301045D+02  0.102769D+03  0.230872D+02  0.615706D+01  0.317277D+02
      3  -0.142182D+02 -0.428529D+02 -0.763629D+01 -0.231159D+01 -0.105949D+02
      4   0.230042D+02  0.549450D+02  0.146429D+02  0.717849D+01  0.162212D+02
      5   0.658731D+01  0.139337D+02  0.592708D+01  0.177580D+01  0.547544D+01
      6   0.100849D+02  0.297518D+02  0.162259D+02  0.483733D+01  0.158841D+02
               351           352           353           354           355 
      1  -0.909475D+01  0.522633D+02  0.214057D+02 -0.140338D+01  0.107443D+02
      2   0.120206D+02 -0.138655D+02 -0.136227D+00  0.794105D+00  0.526663D+01
      3  -0.292582D+01 -0.383978D+02 -0.212695D+02  0.609274D+00 -0.160109D+02
      4   0.601666D+01  0.748525D+02  0.441188D+02 -0.221036D+01  0.334171D+02
      5   0.328120D+01 -0.362817D+01 -0.132855D+01  0.720936D+01  0.203578D+01
      6   0.888214D+01 -0.590494D+01 -0.377290D+01  0.496259D+01  0.937887D+00
               356           357           358           359           360 
      1   0.636198D+01  0.550373D+00 -0.287616D+01 -0.107299D+01  0.223740D+01
      2   0.737123D+01  0.123801D+00  0.419759D+01  0.270639D+01 -0.803759D+00
      3  -0.137332D+02 -0.674173D+00 -0.132144D+01 -0.163340D+01 -0.143364D+01
      4   0.279901D+02  0.198037D+01  0.150318D+01  0.436809D+01  0.346784D+01
      5   0.167013D+01  0.262998D+01  0.278903D+01  0.221263D+01  0.141919D+01
      6  -0.133046D+01  0.187469D+01  0.112678D+01  0.175430D+01  0.920098D+00
               361           362           363           364           365 
      1   0.127025D+03 -0.149038D+02 -0.233322D+02 -0.834445D+01  0.186971D+02
      2  -0.738756D+02  0.786793D+01  0.175123D+02  0.224298D+01 -0.133578D+02
      3  -0.531497D+02  0.703587D+01  0.581990D+01  0.610147D+01 -0.533923D+01
      4  -0.156181D+02  0.309706D+02  0.768201D+01  0.698926D+02 -0.196701D+02
      5  -0.452246D+02  0.992613D+01  0.400043D+02  0.114123D+01 -0.267445D+02
      6   0.237572D+01 -0.965397D+01 -0.136856D+01 -0.257318D+02  0.533334D+01
               366           367           368           369           370 
      1  -0.184626D+00  0.681408D+01  0.262518D+01  0.127943D+01 -0.452219D+01
      2  -0.411781D+01  0.188566D+02 -0.407363D+01 -0.459402D+02  0.296655D+01
      3   0.430243D+01 -0.256706D+02  0.144845D+01  0.446608D+02  0.155564D+01
      4  -0.277171D+02  0.115869D+02 -0.124621D+02 -0.304866D+01 -0.148963D+01
      5  -0.106392D+02  0.624223D+02 -0.112515D+02 -0.545691D+02  0.498542D+01
      6   0.253784D+02 -0.124624D+01  0.171005D+02 -0.479644D+01  0.561532D+00
               371           372           373           374           375 
      1  -0.128947D+01  0.130831D+01 -0.408109D+01 -0.538360D+01 -0.139762D+01
      2  -0.102893D+01 -0.195470D+01  0.302581D+01 -0.169350D+01 -0.393686D+01
      3   0.231840D+01  0.646387D+00  0.105528D+01  0.707710D+01  0.533448D+01
      4  -0.594279D+00  0.702727D+00 -0.235095D+00 -0.247835D+01 -0.120802D+01
      5   0.397622D+01 -0.152242D+01  0.362699D+01  0.375182D+01 -0.272288D+01
      6  -0.888106D+00 -0.259889D+00 -0.668830D-01  0.109421D+01  0.101988D+01
               376           377           378 
      1  -0.777786D+00 -0.375700D+00 -0.336334D+01
      2   0.111564D+01 -0.302961D+01 -0.176147D+01
      3  -0.337858D+00  0.340531D+01  0.512481D+01
      4   0.643420D+00 -0.132526D+01 -0.738895D+00
      5   0.157037D+01 -0.320394D-01 -0.795942D+00
      6  -0.969857D+00  0.895475D+00  0.203339D+01
 Leave Link  716 at Fri Jul 16 23:53:51 2021, MaxMem=  5637144576 cpu:               7.0 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.466503D+03 -0.185640D+02  0.493160D+02
      2  -0.185640D+02  0.435059D+03  0.421400D+02
      3   0.493160D+02  0.421400D+02  0.245998D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.224395D+03 -0.676366D+02  0.167450D+03
      2  -0.121884D+03 -0.944223D+02 -0.424365D+02
      3   0.163192D+03  0.807681D+03 -0.288668D+03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.705953D+03  0.704071D+02 -0.342034D+03
      2   0.233438D+03  0.160263D+02 -0.153138D+02
      3   0.472516D+03 -0.864334D+02  0.357348D+03
      4   0.121218D+03 -0.376258D+03 -0.344453D+03
      5  -0.151631D+03 -0.234833D+03  0.772531D+02
      6  -0.327528D+03  0.112835D+03 -0.189697D+03
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   126 ND12= 1 LenFil=    4539:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.117831D+01  0.122370D+01 -0.992171D-02  0.666248D+00 -0.735336D+00
      2   0.122370D+01 -0.181717D+01  0.380482D+00 -0.735336D+00  0.184732D+01
      3  -0.992171D-02  0.380482D+00 -0.994646D+00 -0.537203D+00  0.299372D+00
                 6             7             8             9            10 
      1  -0.537203D+00 -0.325532D+00 -0.188685D+00 -0.464142D+00 -0.372124D+01
      2   0.299372D+00 -0.188685D+00 -0.644426D+00  0.728966D+00  0.123810D+01
      3   0.116226D+01 -0.464142D+00  0.728966D+00  0.387392D+00 -0.249782D+01
                11            12            13            14            15 
      1   0.123810D+01 -0.249782D+01 -0.247970D+01  0.607379D+00 -0.166440D+01
      2  -0.122084D+01 -0.945295D+00  0.607379D+00  0.181668D+00 -0.113575D+01
      3  -0.945295D+00 -0.793122D+01 -0.166440D+01 -0.113575D+01 -0.178726D+01
                16            17            18            19            20 
      1  -0.398256D+01  0.821272D+00 -0.527189D+01  0.490457D+01 -0.162500D+01
      2   0.821272D+00 -0.649611D+01  0.179358D+01 -0.162500D+01  0.514261D+01
      3  -0.527189D+01  0.179358D+01 -0.660562D+01  0.234076D+01 -0.563371D+00
                21            22            23            24            25 
      1   0.234076D+01  0.332819D+01  0.134662D+01  0.320667D+01  0.380069D+01
      2  -0.563371D+00  0.134662D+01 -0.113749D+01  0.480849D+00 -0.191055D+01
      3  -0.138705D+00  0.320667D+01  0.480849D+00  0.999193D+00  0.417535D+01
                26            27            28            29            30 
      1  -0.191055D+01  0.417535D+01  0.843333D+00  0.266045D+00  0.149085D+01
      2   0.206758D+01 -0.283642D+01  0.266045D+00  0.226373D+00 -0.355485D-02
      3  -0.283642D+01  0.114569D+02  0.149085D+01 -0.355485D-02  0.191347D+01
                31            32            33            34            35 
      1   0.273952D+00  0.879455D+00  0.126518D+01  0.143232D+01  0.113903D+01
      2   0.879455D+00  0.195550D+01  0.287921D+01  0.113903D+01  0.168007D+01
      3   0.126518D+01  0.287921D+01  0.596246D+01  0.213805D+01  0.314585D+01
                36            37            38            39            40 
      1   0.213805D+01  0.556730D+01  0.484731D+00  0.276802D+01  0.781158D+01
      2   0.314585D+01  0.484731D+00  0.216644D+01  0.111804D+01 -0.220575D+01
      3   0.664794D+01  0.276802D+01  0.111804D+01  0.314241D+01  0.228806D+01
                41            42            43            44            45 
      1  -0.220575D+01  0.228806D+01  0.554806D+01 -0.456424D+01  0.606006D+01
      2   0.430921D+01 -0.682718D+00 -0.456424D+01  0.648812D+01 -0.414503D+01
      3  -0.682718D+00 -0.155225D+01  0.606006D+01 -0.414503D+01  0.107381D+02
                46            47            48            49            50 
      1   0.843572D+01 -0.164213D+01  0.650009D+01 -0.736615D+00  0.935284D+00
      2  -0.164213D+01  0.742519D+00 -0.152075D+01  0.935284D+00 -0.258846D+00
      3   0.650009D+01 -0.152075D+01  0.606023D+01  0.138083D+00  0.701497D+00
                51            52            53            54            55 
      1   0.138083D+00  0.567676D+01 -0.521191D+00  0.506360D+01 -0.125283D+01
      2   0.701497D+00 -0.521191D+00  0.252820D+00 -0.527179D+00  0.143370D+01
      3   0.100176D+01  0.506360D+01 -0.527179D+00  0.517722D+01 -0.356604D+01
                56            57            58            59            60 
      1   0.143370D+01 -0.356604D+01 -0.569608D+01  0.167512D+01 -0.623643D+01
      2  -0.313609D+01  0.205223D+01  0.167512D+01 -0.520403D+01  0.390821D+01
      3   0.205223D+01 -0.236867D+01 -0.623643D+01  0.390821D+01 -0.672423D+01
                61            62            63            64            65 
      1  -0.112458D+02  0.254261D+01 -0.649384D+01  0.540849D+01 -0.463973D+01
      2   0.254261D+01 -0.194363D+01  0.110989D+01 -0.463973D+01  0.461441D+01
      3  -0.649384D+01  0.110989D+01 -0.676081D+01  0.118062D+01 -0.121647D+01
                66            67            68            69            70 
      1   0.118062D+01 -0.483562D+01  0.483962D+01 -0.505754D+00  0.455029D+00
      2  -0.121647D+01  0.483962D+01 -0.585775D+01  0.820645D+00  0.746342D-01
      3   0.752618D+00 -0.505754D+00  0.820645D+00 -0.455330D+00  0.544300D+00
                71            72            73            74            75 
      1   0.746342D-01  0.544300D+00  0.130400D+02 -0.448001D+01  0.118095D+02
      2  -0.637305D+00 -0.633779D+00 -0.448001D+01  0.472402D+01 -0.292010D+01
      3  -0.633779D+00  0.124083D+00  0.118095D+02 -0.292010D+01  0.118496D+02
                76            77            78            79            80 
      1  -0.164952D+02  0.643933D+01 -0.192254D+02 -0.166607D+01  0.771937D+00
      2   0.643933D+01 -0.753446D+01  0.316430D+01  0.771937D+00  0.687105D+00
      3  -0.192254D+02  0.316430D+01 -0.221423D+02 -0.197997D+01 -0.120260D+01
                81            82            83            84            85 
      1  -0.197997D+01  0.186096D+02 -0.138595D+02  0.110055D+02  0.711457D+01
      2  -0.120260D+01 -0.138595D+02  0.256403D+02 -0.385763D+01 -0.310011D+01
      3  -0.499860D+01  0.110055D+02 -0.385763D+01  0.127878D+02  0.599140D+01
                86            87            88            89            90 
      1  -0.310011D+01  0.599140D+01  0.110256D+02 -0.856379D+01  0.137791D+02
      2  -0.109196D+01  0.613304D+00 -0.856379D+01  0.207444D+02 -0.766589D+01
      3   0.613304D+00  0.699548D+01  0.137791D+02 -0.766589D+01  0.148043D+02
                91            92            93            94            95 
      1  -0.226897D+02  0.590354D+01 -0.194700D+02  0.918288D+01 -0.226020D+01
      2   0.590354D+01 -0.862614D+01  0.353290D+01 -0.226020D+01  0.449179D+01
      3  -0.194700D+02  0.353290D+01 -0.198522D+02  0.127077D+02 -0.615208D+00
                96            97            98            99           100 
      1   0.127077D+02 -0.357616D+01  0.195866D+01 -0.364788D+01  0.102074D+02
      2  -0.615208D+00  0.195866D+01  0.120396D+01  0.188548D+01  0.214719D+01
      3   0.148338D+02 -0.364788D+01  0.188548D+01 -0.304284D+01  0.978259D+01
               101           102           103           104           105 
      1   0.214719D+01  0.978259D+01  0.268393D+02 -0.246790D+02  0.167285D+02
      2  -0.597593D+01 -0.318125D+00 -0.246790D+02  0.487676D+02 -0.118999D+02
      3  -0.318125D+00  0.943940D+01  0.167285D+02 -0.118999D+02  0.113372D+02
               106           107           108           109           110 
      1   0.190568D+02 -0.102290D+02  0.141857D+02 -0.614504D+01 -0.466573D+01
      2  -0.102290D+02  0.222064D+02 -0.559644D+01 -0.466573D+01  0.904468D+01
      3   0.141857D+02 -0.559644D+01  0.127962D+02 -0.768013D+01  0.853419D+00
               111           112           113           114           115 
      1  -0.768013D+01 -0.297112D+02  0.281494D+02 -0.196380D+02 -0.146572D+02
      2   0.853419D+00  0.281494D+02 -0.591885D+02  0.158497D+02  0.100528D+02
      3  -0.614324D+01 -0.196380D+02  0.158497D+02 -0.136750D+02 -0.121196D+02
               116           117           118           119           120 
      1   0.100528D+02 -0.121196D+02 -0.229729D+02  0.223877D+02 -0.135258D+02
      2  -0.184557D+02  0.480472D+01  0.223877D+02 -0.442950D+02  0.121403D+02
      3   0.480472D+01 -0.113599D+02 -0.135258D+02  0.121403D+02 -0.101554D+02
               121           122           123           124           125 
      1   0.683460D+01 -0.130106D+02  0.461997D+01 -0.992316D+01  0.109720D+02
      2  -0.130106D+02  0.199221D+02 -0.601707D+01  0.109720D+02 -0.171452D+02
      3   0.461997D+01 -0.601707D+01  0.378602D+01 -0.737525D+01  0.350373D+01
               126           127           128           129           130 
      1  -0.737525D+01  0.234926D+02 -0.104448D+02  0.792564D+01  0.303596D+01
      2   0.350373D+01 -0.104448D+02  0.786212D+02 -0.883827D+01  0.168971D+02
      3  -0.121985D+02  0.792564D+01 -0.883827D+01  0.343003D+01 -0.104853D+01
               131           132           133           134           135 
      1   0.168971D+02 -0.104853D+01  0.788868D+01  0.256755D+01  0.115799D+01
      2   0.198847D+02  0.405727D+01  0.256755D+01  0.286075D+02 -0.116127D+01
      3   0.405727D+01  0.223662D+00  0.115799D+01 -0.116127D+01  0.377442D+00
               136           137           138           139           140 
      1  -0.243747D+02  0.746218D+01 -0.730460D+01 -0.246645D+01 -0.110330D+02
      2   0.746218D+01 -0.794327D+02  0.106362D+02 -0.110330D+02 -0.165273D+02
      3  -0.730460D+01  0.106362D+02 -0.310219D+01 -0.129299D+00 -0.140993D+01
               141           142           143           144           145 
      1  -0.129299D+00 -0.623357D+01  0.569872D+00 -0.466912D+01 -0.120942D+02
      2  -0.140993D+01  0.569872D+00 -0.274922D+02  0.276138D+01 -0.517308D+00
      3  -0.317884D+00 -0.466912D+01  0.276138D+01 -0.251705D+01 -0.592307D+01
               146           147           148           149           150 
      1  -0.517308D+00 -0.592307D+01  0.137790D+02  0.316084D+01  0.101579D+02
      2  -0.166434D+02  0.318686D+00  0.316084D+01  0.445976D+02 -0.402248D+01
      3   0.318686D+00 -0.561510D+01  0.101579D+02 -0.402248D+01  0.836139D+01
               151           152           153           154           155 
      1   0.325607D+01  0.308059D+01 -0.335126D+01  0.170635D+02 -0.339770D+01
      2   0.308059D+01  0.625429D+01 -0.146661D+00 -0.339770D+01  0.204266D+02
      3  -0.335126D+01 -0.146661D+00 -0.460808D+01  0.138853D+02 -0.372268D+01
               156           157           158           159           160 
      1   0.138853D+02 -0.156269D+02 -0.286969D+01 -0.698616D+01  0.304402D+01
      2  -0.372268D+01 -0.286969D+01 -0.277863D+02  0.372481D+01 -0.739919D+00
      3   0.118206D+02 -0.698616D+01  0.372481D+01 -0.506936D+01  0.267967D+01
               161           162           163           164           165 
      1  -0.739919D+00  0.267967D+01  0.355679D+02  0.202599D+02 -0.227303D+01
      2   0.290225D+01 -0.600944D+01  0.202599D+02  0.381651D+02 -0.219712D+01
      3  -0.600944D+01 -0.235354D+00 -0.227303D+01 -0.219712D+01  0.795370D+00
               166           167           168           169           170 
      1  -0.203739D+02 -0.187181D+02  0.314636D+00 -0.498667D+01 -0.466858D+01
      2  -0.187181D+02 -0.566204D+02 -0.990014D+00 -0.466858D+01 -0.181004D+02
      3   0.314636D+00 -0.990014D+00 -0.670495D+00  0.233469D+00 -0.266485D+00
               171           172           173           174           175 
      1   0.233469D+00 -0.318568D+02 -0.194814D+02  0.320131D+01  0.259478D+02
      2  -0.266485D+00 -0.194814D+02 -0.364654D+02  0.291626D+01  0.244000D+02
      3  -0.488849D+00  0.320131D+01  0.291626D+01  0.162749D+00 -0.893697D+00
               176           177           178           179           180 
      1   0.244000D+02 -0.893697D+00  0.490759D+01  0.523011D+01 -0.187565D+01
      2   0.714240D+02 -0.174509D+01  0.523011D+01  0.165248D+02  0.132598D+01
      3  -0.174509D+01  0.522461D+00 -0.187565D+01  0.132598D+01  0.985849D+00
               181           182           183           184           185 
      1   0.144224D+02  0.963194D+01 -0.129835D+01  0.261645D+02  0.193186D+01
      2   0.963194D+01  0.157640D+02 -0.277973D+01  0.193186D+01  0.356862D+02
      3  -0.129835D+01 -0.277973D+01 -0.770818D+00  0.337980D+01 -0.626204D+01
               186           187           188           189           190 
      1   0.337980D+01  0.113085D+02  0.672020D+00 -0.314367D+01 -0.520641D+01
      2  -0.626204D+01  0.672020D+00  0.898253D+01  0.262147D+01 -0.478796D+01
      3   0.235068D+01 -0.314367D+01  0.262147D+01  0.547486D+00  0.231299D+01
               191           192           193           194           195 
      1  -0.478796D+01  0.231299D+01 -0.274455D+02  0.488105D+01 -0.768703D+00
      2   0.309134D+01 -0.199351D+01  0.488105D+01 -0.491582D+02  0.789723D+01
      3  -0.199351D+01 -0.520936D+00 -0.768703D+00  0.789723D+01 -0.165090D+01
               196           197           198           199           200 
      1  -0.559193D+01  0.233161D+01 -0.498314D+01 -0.154903D+02 -0.119360D+02
      2   0.233161D+01 -0.975762D+01 -0.810538D-01 -0.119360D+02 -0.119187D+02
      3  -0.498314D+01 -0.810538D-01 -0.228756D+01 -0.450415D+00  0.194286D+01
               201           202           203           204           205 
      1  -0.450415D+00 -0.424634D+02 -0.109734D+02  0.109950D+02 -0.197454D+02
      2   0.194286D+01 -0.109734D+02 -0.140160D+02  0.583186D+00 -0.400777D+01
      3   0.149379D+00  0.109950D+02  0.583186D+00 -0.233075D+01  0.367369D+01
               206           207           208           209           210 
      1  -0.400777D+01  0.367369D+01 -0.325064D+02 -0.183708D+02  0.582213D+01
      2  -0.844150D+01  0.176829D+00 -0.183708D+02 -0.472758D+02  0.805772D-01
      3   0.176829D+00 -0.217262D+01  0.582213D+01  0.805772D-01 -0.401563D+01
               211           212           213           214           215 
      1  -0.168590D+02 -0.191033D+02  0.296681D+01 -0.274182D+01 -0.327528D+01
      2  -0.191033D+02 -0.457487D+02  0.674028D+00 -0.327528D+01 -0.115209D+02
      3   0.296681D+01  0.674028D+00 -0.942632D+00 -0.465756D+01  0.176224D+01
               216           217           218           219           220 
      1  -0.465756D+01  0.477251D+02  0.183220D+02 -0.106923D+02 -0.557621D+01
      2   0.176224D+01  0.183220D+02  0.403513D+02 -0.972259D+00 -0.326109D+00
      3   0.245860D+01 -0.106923D+02 -0.972259D+00  0.449070D+01  0.241579D+01
               221           222           223           224           225 
      1  -0.326109D+00  0.241579D+01 -0.422451D+01 -0.505876D+00  0.351377D+01
      2   0.125680D+02 -0.139371D+01 -0.505876D+00  0.210002D+00  0.600832D+01
      3  -0.139371D+01 -0.164615D-01  0.351377D+01  0.600832D+01  0.169963D+01
               226           227           228           229           230 
      1  -0.105207D+02  0.203070D+01  0.530066D+01  0.481656D+02  0.151116D+02
      2   0.203070D+01  0.460651D+01 -0.344439D-01  0.151116D+02  0.179535D+02
      3   0.530066D+01 -0.344439D-01 -0.179000D+01 -0.123568D+02 -0.173176D+01
               231           232           233           234           235 
      1  -0.123568D+02  0.173143D+02  0.466957D+01 -0.511516D+01 -0.434329D+01
      2  -0.173176D+01  0.466957D+01  0.420227D+01  0.912067D+00 -0.704067D+01
      3   0.288006D+01 -0.511516D+01  0.912067D+00  0.270909D+01 -0.111311D+01
               236           237           238           239           240 
      1  -0.704067D+01 -0.111311D+01  0.418467D+01  0.367948D+01 -0.389386D+00
      2  -0.103366D+02  0.104439D+01  0.367948D+01  0.420810D+01 -0.251583D+01
      3   0.104439D+01  0.361787D+00 -0.389386D+00 -0.251583D+01  0.370516D+00
               241           242           243           244           245 
      1   0.451238D+01  0.346451D+01  0.154140D+01  0.153483D+02  0.535344D+01
      2   0.346451D+01  0.949341D+00  0.233762D+01  0.535344D+01  0.120222D+02
      3   0.154140D+01  0.233762D+01  0.199266D+01 -0.235522D+01  0.358370D+00
               246           247           248           249           250 
      1  -0.235522D+01  0.832341D+01 -0.429971D+01 -0.645126D+01  0.144364D+01
      2   0.358370D+00 -0.429971D+01 -0.396510D+01 -0.413870D+00 -0.454902D+01
      3   0.303169D+01 -0.645126D+01 -0.413870D+00  0.165938D+01  0.244298D+01
               251           252           253           254           255 
      1  -0.454902D+01  0.244298D+01  0.234645D+02  0.566433D+01 -0.666213D+01
      2  -0.624278D+01  0.237384D+01  0.566433D+01  0.603904D+01 -0.312886D+00
      3   0.237384D+01 -0.104815D+01 -0.666213D+01 -0.312886D+00  0.191770D+01
               256           257           258           259           260 
      1  -0.767594D+01  0.183709D+01  0.217016D+01 -0.731887D+01 -0.172181D+01
      2   0.183709D+01  0.382117D+01 -0.470286D+00 -0.172181D+01  0.568234D+00
      3   0.217016D+01 -0.470286D+00  0.101140D+01  0.469782D+01  0.103624D+01
               261           262           263           264           265 
      1   0.469782D+01 -0.275007D+02 -0.190030D+01  0.965942D+01 -0.158593D+01
      2   0.103624D+01 -0.190030D+01 -0.544195D+01 -0.128718D+01 -0.559944D+00
      3  -0.228686D+01  0.965942D+01 -0.128718D+01 -0.424311D+01  0.187629D+01
               266           267           268           269           270 
      1  -0.559944D+00  0.187629D+01  0.331173D+01  0.131532D+01 -0.129366D+01
      2  -0.206981D+01  0.106108D+01  0.131532D+01  0.465168D+01 -0.253623D+01
      3   0.106108D+01 -0.145601D+01 -0.129366D+01 -0.253623D+01 -0.763710D+00
               271           272           273           274           275 
      1   0.334060D+01 -0.451073D+01 -0.313505D-03 -0.298959D+01  0.482568D+01
      2  -0.451073D+01  0.685914D+01 -0.111234D+00  0.482568D+01 -0.968758D+01
      3  -0.313505D-03 -0.111234D+00  0.747953D+00  0.800532D+00 -0.107584D+01
               276           277           278           279           280 
      1   0.800532D+00  0.841160D+00  0.189891D-01  0.835247D+00 -0.729528D+00
      2  -0.107584D+01  0.189891D-01 -0.141217D+01 -0.749644D+00 -0.684717D+00
      3  -0.287048D+00  0.835247D+00 -0.749644D+00 -0.252784D-01 -0.102467D+01
               281           282           283           284           285 
      1  -0.684717D+00 -0.102467D+01 -0.114086D+00 -0.129230D+01 -0.286867D+00
      2  -0.202418D+01 -0.676022D+00 -0.129230D+01 -0.106838D+02 -0.496964D+01
      3  -0.676022D+00 -0.129311D+01 -0.286867D+00 -0.496964D+01 -0.308949D+01
               286           287           288           289           290 
      1  -0.962279D+00 -0.123920D+01 -0.695791D+00 -0.127435D+02 -0.361569D+01
      2  -0.123920D+01 -0.547028D+01 -0.368204D+01 -0.361569D+01 -0.953854D+00
      3  -0.695791D+00 -0.368204D+01 -0.215309D+01 -0.519862D+01 -0.131529D+01
               291           292           293           294           295 
      1  -0.519862D+01 -0.170929D+01 -0.216513D+01 -0.111573D+01 -0.504251D+01
      2  -0.131529D+01 -0.216513D+01  0.225876D+00 -0.942018D+00 -0.135016D+01
      3  -0.295590D+01 -0.111573D+01 -0.942018D+00 -0.911884D+00 -0.227379D+01
               296           297           298           299           300 
      1  -0.135016D+01 -0.227379D+01 -0.160341D+01 -0.242442D+01 -0.114902D+01
      2  -0.133574D+01 -0.106094D+01 -0.242442D+01 -0.159892D+01 -0.176995D+01
      3  -0.106094D+01 -0.124141D+01 -0.114902D+01 -0.176995D+01 -0.101589D+01
               301           302           303           304           305 
      1  -0.238099D+01 -0.396109D+01 -0.214041D+01 -0.110818D+01 -0.292479D+01
      2  -0.396109D+01 -0.103518D+02 -0.498032D+01 -0.292479D+01 -0.476093D+01
      3  -0.214041D+01 -0.498032D+01 -0.311578D+01 -0.135478D+01 -0.275767D+01
               306           307           308           309           310 
      1  -0.135478D+01 -0.951810D+01  0.616516D+01  0.325002D+00  0.682346D+01
      2  -0.275767D+01  0.616516D+01 -0.331212D+01 -0.678543D-01 -0.541664D+01
      3  -0.221839D+01  0.325002D+00 -0.678543D-01 -0.595423D+00 -0.611878D+00
               311           312           313           314           315 
      1  -0.541664D+01 -0.611878D+00  0.640030D+00 -0.910312D+00 -0.538583D+00
      2   0.589279D+01  0.597025D+00 -0.910312D+00  0.110917D+01 -0.101871D+00
      3   0.597025D+00  0.484475D+00 -0.538583D+00 -0.101871D+00  0.219312D+00
               316           317           318           319           320 
      1  -0.162793D+02 -0.767464D+00 -0.340509D+01 -0.214679D+01 -0.145878D+01
      2  -0.767464D+00 -0.247438D-01 -0.189608D+00 -0.145878D+01 -0.156312D+01
      3  -0.340509D+01 -0.189608D+00 -0.145823D+01 -0.867813D+00 -0.422128D+00
               321           322           323           324           325 
      1  -0.867813D+00 -0.439776D+01 -0.404198D+00 -0.119962D+01 -0.676156D+01
      2  -0.422128D+00 -0.404198D+00  0.634997D+00  0.308270D+00  0.507563D+01
      3  -0.335454D+00 -0.119962D+01  0.308270D+00 -0.659791D+00  0.157348D+01
               326           327           328           329           330 
      1   0.507563D+01  0.157348D+01  0.360390D+01 -0.563694D+01 -0.151033D+01
      2  -0.594462D+01 -0.136515D+01 -0.563694D+01  0.681763D+01  0.171791D+01
      3  -0.136515D+01 -0.908124D+00 -0.151033D+01  0.171791D+01  0.108732D+01
               331           332           333           334           335 
      1   0.117510D+01 -0.195892D+01 -0.184795D+00  0.114014D+01  0.191791D+01
      2  -0.195892D+01  0.103716D+01  0.115094D+01  0.191791D+01  0.258501D+01
      3  -0.184795D+00  0.115094D+01  0.262254D+00  0.187275D+00  0.429365D+00
               336           337           338           339           340 
      1   0.187275D+00  0.383145D+00  0.255732D+00  0.186301D+00 -0.512898D+00
      2   0.429365D+00  0.255732D+00  0.146336D+02  0.396817D+01 -0.226310D+00
      3   0.276309D+00  0.186301D+00  0.396817D+01  0.174110D+01 -0.170877D+00
               341           342           343           344           345 
      1  -0.226310D+00 -0.170877D+00  0.155886D+01  0.200524D+01  0.392762D+00
      2   0.480024D+01  0.137466D+01  0.200524D+01  0.283917D+01  0.602388D+00
      3   0.137466D+01  0.946110D+00  0.392762D+00  0.602388D+00  0.400870D+00
               346           347           348           349           350 
      1   0.140541D+01  0.369689D+01  0.117196D+01  0.738896D+00  0.100353D+01
      2   0.369689D+01  0.119704D+02  0.307982D+01  0.100353D+01  0.387219D+01
      3   0.117196D+01  0.307982D+01  0.148831D+01  0.274668D+00  0.151317D+01
               351           352           353           354           355 
      1   0.274668D+00  0.105936D+02  0.522309D+01 -0.465006D+00  0.350398D+01
      2   0.151317D+01  0.522309D+01  0.328351D+01 -0.203662D+00  0.271473D+01
      3   0.825032D+00 -0.465006D+00 -0.203662D+00  0.744316D+00  0.302455D+00
               356           357           358           359           360 
      1   0.271473D+01  0.302455D+00  0.241144D+00  0.423878D+00  0.167862D+00
      2   0.240524D+01  0.213695D+00  0.423878D+00  0.794999D+00  0.183004D+00
      3   0.213695D+00  0.322908D+00  0.167862D+00  0.183004D+00  0.260874D+00
               361           362           363           364           365 
      1   0.103383D+02 -0.259447D+01 -0.167612D+01  0.291923D+01  0.612123D+01
      2  -0.259447D+01  0.117370D+01  0.379468D+00  0.612123D+01 -0.253110D+01
      3  -0.167612D+01  0.379468D+00  0.188901D+01 -0.769494D+00 -0.251130D+01
               366           367           368           369           370 
      1  -0.769494D+00  0.739893D+00  0.117187D+01  0.552430D+01 -0.158334D+01
      2  -0.251130D+01  0.117187D+01 -0.718801D+00 -0.128541D+01 -0.809778D+00
      3  -0.989143D+00  0.552430D+01 -0.128541D+01 -0.700873D+01  0.276881D+00
               371           372           373           374           375 
      1  -0.809778D+00  0.276881D+00 -0.922965D+00 -0.580309D+00  0.450483D+00
      2  -0.168500D+01  0.396190D+00 -0.580309D+00 -0.258180D+01 -0.844403D-01
      3   0.396190D+00 -0.295450D+00  0.450483D+00 -0.844403D-01 -0.106223D+01
               376           377           378 
      1  -0.115534D+00 -0.392738D+00  0.171002D+00
      2  -0.392738D+00 -0.856458D+00 -0.372190D+00
      3   0.171002D+00 -0.372190D+00 -0.735427D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.689092D+01 -0.110318D+02  0.203952D+01 -0.633088D+01  0.130006D+02
      2   0.605784D+01 -0.764267D+01  0.295290D+01 -0.429552D+01  0.757788D+01
      3  -0.488664D+01  0.378211D+00  0.117093D+01  0.802155D+01 -0.667607D+01
                 6             7             8             9            10 
      1  -0.177110D+01 -0.119435D-02  0.269570D+01  0.408651D+01 -0.172465D+02
      2  -0.457253D+00  0.680347D+00  0.514059D+00  0.259222D+01  0.722311D+01
      3   0.225909D+01 -0.339640D+01 -0.522686D+01 -0.380356D+01  0.348544D+02
                11            12            13            14            15 
      1   0.142540D+02 -0.397744D+02 -0.118643D+02  0.192248D+02 -0.147374D+02
      2   0.955214D+01 -0.780769D+01  0.389766D+01  0.753531D+01  0.380043D+01
      3  -0.301180D+02  0.512398D+02  0.273963D+02 -0.351748D+02  0.169184D+02
                16            17            18            19            20 
      1  -0.193959D+02 -0.411791D+01 -0.518526D+01  0.170635D+02 -0.497247D+01
      2  -0.119485D+02  0.106767D+02  0.165951D+01  0.231708D+01 -0.895864D+01
      3   0.312161D+02 -0.238924D+02  0.311834D+02 -0.314692D+02  0.259930D+02
                21            22            23            24            25 
      1   0.221390D+02  0.158520D+02  0.113665D+02  0.230205D+01  0.121894D+02
      2   0.849109D+01 -0.227347D+01 -0.295336D+01 -0.648304D+01 -0.431505D+01
      3  -0.382813D+02 -0.187029D+02 -0.353008D+02 -0.883390D+01 -0.323556D+02
                26            27            28            29            30 
      1  -0.637807D+01  0.291867D+02  0.310192D+01 -0.236241D+01  0.263272D+01
      2   0.372155D+01  0.952652D+01  0.291282D+00 -0.213020D+01 -0.162334D+00
      3   0.269570D+02 -0.478002D+02 -0.435137D+01  0.375865D+01 -0.570891D+01
                31            32            33            34            35 
      1   0.443514D+01  0.131085D+02  0.175247D+02  0.759919D+01  0.158080D+02
      2  -0.587622D-01  0.159419D+01  0.759456D+01 -0.331289D+01  0.231823D+01
      3  -0.232097D+01 -0.804008D+01 -0.161524D+02 -0.340597D+01 -0.119795D+02
                36            37            38            39            40 
      1   0.193112D+02  0.194988D+02  0.702137D+01  0.783794D+01  0.125215D+02
      2   0.240097D+01 -0.642591D+01  0.121578D+01 -0.162447D+01 -0.118033D+02
      3  -0.127323D+02 -0.358054D+02 -0.118748D+02 -0.194441D+02 -0.367846D+02
                41            42            43            44            45 
      1  -0.176573D+02  0.773655D+01  0.142296D+02 -0.974343D+01  0.354328D+02
      2  -0.486126D+01 -0.124973D+01  0.243657D+01 -0.827692D+01  0.135572D+02
      3   0.375428D+02 -0.211835D+02 -0.338322D+02  0.569231D+02 -0.371809D+02
                46            47            48            49            50 
      1   0.101392D+02  0.556470D+00  0.915118D+01  0.268906D+01  0.651588D+00
      2  -0.997640D+01  0.629631D+00 -0.161146D+01  0.398109D+01 -0.171798D+01
      3  -0.193922D+02  0.501350D+00 -0.144130D+02  0.162494D+00 -0.846319D+00
                51            52            53            54            55 
      1   0.462790D+01  0.113808D+02  0.167657D+01  0.106808D+02 -0.238085D+02
      2   0.328788D+01 -0.759887D+01  0.829362D+00 -0.253019D+01 -0.111339D+02
      3  -0.309823D+01 -0.177898D+02 -0.250340D+01 -0.159303D+02  0.156718D+02
                56            57            58            59            60 
      1   0.232583D+02 -0.184369D+02 -0.264703D+02  0.101172D+02 -0.266081D+02
      2   0.201291D+02  0.347842D+01  0.708966D-01  0.130215D+02 -0.628188D+00
      3  -0.372231D+02  0.194651D+02  0.350451D+02 -0.274224D+02  0.352000D+02
                61            62            63            64            65 
      1  -0.323533D+02  0.372343D+02 -0.340289D+02 -0.535953D+01  0.498044D+01
      2  -0.428034D+01  0.129771D+02 -0.200032D+02 -0.819727D+01  0.600327D+01
      3   0.721930D+02 -0.734501D+02  0.524351D+02 -0.103242D+02  0.395378D+01
                66            67            68            69            70 
      1   0.339496D+00  0.740021D+01 -0.873078D+01 -0.259374D+01  0.807468D+00
      2   0.245628D-01  0.928986D+01 -0.923586D+01 -0.194024D+01 -0.123138D+01
      3  -0.354234D+00  0.882235D+01 -0.451767D+01  0.559119D+00 -0.426918D+00
                71            72            73            74            75 
      1  -0.250903D+01 -0.157067D+01  0.529167D+02 -0.343829D+02  0.566276D+02
      2  -0.630003D+00 -0.128116D+01  0.187295D+02 -0.121453D+02  0.193533D+02
      3   0.268826D+01  0.591536D+00 -0.103131D+03  0.833451D+02 -0.974614D+02
                76            77            78            79            80 
      1  -0.886029D+02 -0.213357D+02 -0.109099D+03 -0.449187D+01 -0.230886D+02
      2  -0.723024D+01 -0.278614D+02 -0.141072D+02 -0.682946D+01 -0.166319D+02
      3   0.162090D+03 -0.355082D+02  0.199958D+03  0.294239D+02  0.328465D+02
                81            82            83            84            85 
      1  -0.179537D+02  0.579541D+02 -0.207731D+02  0.583254D+02  0.209650D+02
      2  -0.137970D+02  0.271840D+02 -0.807086D+01  0.200056D+02  0.948808D+01
      3   0.430432D+02 -0.180835D+03  0.180253D+03 -0.117332D+03 -0.678925D+02
                86            87            88            89            90 
      1   0.226141D+02  0.286700D+02  0.736536D+02 -0.209163D+02  0.838355D+02
      2   0.183385D+02  0.116575D+02  0.114277D+01  0.532329D+01  0.921717D+01
      3   0.753739D+01 -0.748343D+02 -0.115953D+03  0.114843D+03 -0.154789D+03
                91            92            93            94            95 
      1  -0.558145D+02 -0.977411D+01 -0.643555D+02  0.360462D+02  0.128174D+01
      2   0.234328D+02 -0.229464D+02  0.148322D+02  0.562151D+00  0.538629D+01
      3   0.109786D+03 -0.549063D+02  0.111286D+03 -0.802443D+02  0.243998D+02
                96            97            98            99           100 
      1   0.443446D+02 -0.304326D-01 -0.138173D+02 -0.354909D+01  0.164382D+02
      2  -0.411499D+01  0.273546D+01 -0.996183D+01 -0.602397D+01 -0.550294D+01
      3  -0.929839D+02  0.650352D+00  0.395983D+02  0.450907D+01 -0.366875D+02
               101           102           103           104           105 
      1   0.115585D+02  0.235881D+02  0.748589D+02 -0.496804D+02  0.413024D+02
      2   0.151094D+02  0.175939D+01  0.159890D+02 -0.394101D+01  0.443475D+01
      3  -0.549126D+02 -0.461319D+02 -0.199816D+03  0.279944D+03 -0.102443D+03
               106           107           108           109           110 
      1   0.412789D+02 -0.690105D+01  0.345770D+02 -0.236844D+02 -0.273585D+02
      2  -0.156435D+02  0.165131D+00 -0.149693D+02  0.251774D+01 -0.257764D+02
      3  -0.907455D+02  0.167896D+03 -0.729854D+02  0.682238D+02  0.591163D+02
               111           112           113           114           115 
      1  -0.264434D+02 -0.111586D+03  0.943008D+02 -0.709592D+02 -0.536251D+02
      2  -0.571641D+01 -0.262565D+02  0.363079D+02 -0.130042D+02 -0.300021D+02
      3   0.659180D+02  0.272563D+03 -0.451621D+03  0.175892D+03  0.130873D+03
               116           117           118           119           120 
      1   0.400209D+02 -0.443056D+02 -0.783765D+02  0.726259D+02 -0.548169D+02
      2   0.171673D+02 -0.131847D+02 -0.194518D+02  0.243754D+02 -0.108622D+02
      3  -0.154949D+03  0.927240D+02  0.224286D+03 -0.335640D+03  0.149324D+03
               121           122           123           124           125 
      1   0.343333D+02 -0.467146D+02  0.209511D+02 -0.433904D+02  0.291913D+02
      2   0.162804D+02 -0.260254D+02  0.823101D+01 -0.222361D+02  0.205379D+02
      3  -0.671821D+02  0.183815D+03 -0.464776D+02  0.854278D+02 -0.142166D+03
               126           127           128           129           130 
      1  -0.582011D+02  0.585401D+02 -0.943134D+02  0.250654D+02 -0.323175D+01
      2  -0.151841D+02  0.117272D+02 -0.471778D+02  0.665741D+01 -0.158403D+02
      3   0.742882D+02 -0.649569D+02  0.463200D+03 -0.514300D+02  0.107453D+03
               131           132           133           134           135 
      1  -0.214866D+02  0.208042D+01  0.813243D+01 -0.109399D+02 -0.527508D+01
      2  -0.204603D+02 -0.186830D+01 -0.190661D+02 -0.186880D+02 -0.595919D+01
      3   0.923754D+02  0.179566D+02  0.411532D+02  0.173171D+03 -0.208843D+01
               136           137           138           139           140 
      1  -0.637696D+02  0.124209D+03 -0.317179D+02  0.903154D+01  0.201184D+02
      2  -0.125672D+02  0.874043D+02 -0.115919D+02  0.265879D+02  0.246376D+02
      3   0.686912D+02 -0.612873D+03  0.828757D+02 -0.933702D+02 -0.123218D+03
               141           142           143           144           145 
      1  -0.111233D+01 -0.145596D+02  0.711494D+02 -0.740188D+01 -0.215872D+02
      2   0.584731D+01  0.766188D+00  0.369897D+02 -0.896314D+00 -0.996924D+01
      3  -0.146608D+02 -0.171850D+02 -0.208054D+03  0.153830D+02  0.531691D+02
               146           147           148           149           150 
      1   0.638979D+01 -0.201184D+02  0.399623D+02 -0.839668D+02  0.362891D+02
      2   0.149078D+02  0.205017D+01 -0.126483D+02 -0.602126D+02 -0.449262D+00
      3  -0.112145D+03  0.315708D+02 -0.272938D+00  0.342787D+03 -0.568331D+02
               151           152           153           154           155 
      1  -0.145455D+02  0.123495D+02 -0.108441D+02  0.609523D+02 -0.263490D+02
      2   0.110837D+02 -0.869610D+01  0.942238D+01  0.209942D+02 -0.265823D+02
      3   0.794822D+01  0.573482D+02  0.120613D+02 -0.126940D+03  0.172219D+03
               156           157           158           159           160 
      1   0.501623D+02 -0.266662D+02  0.407358D+02 -0.259095D+02  0.788599D+01
      2   0.107199D+02  0.852279D+00  0.166639D+02 -0.154716D+01 -0.719496D+01
      3  -0.101780D+03  0.330158D+02 -0.190219D+03  0.494402D+02 -0.545179D+02
               161           162           163           164           165 
      1  -0.918712D+01  0.107566D+02 -0.106441D+02 -0.583912D+02  0.343592D+01
      2   0.336093D+02  0.101491D+02 -0.132690D+02 -0.205528D+02 -0.534695D+00
      3   0.235470D+02 -0.657911D+02  0.156825D+03  0.227560D+03 -0.999353D+01
               166           167           168           169           170 
      1  -0.588280D+01  0.488958D+02 -0.208661D+01 -0.100506D+02  0.454598D+02
      2   0.241745D+02  0.310534D+02  0.259515D+01 -0.190600D+02  0.146306D+02
      3  -0.155831D+03 -0.289073D+03 -0.978667D+01 -0.651143D+01 -0.112979D+03
               171           172           173           174           175 
      1  -0.829555D+01  0.276110D+02  0.648043D+02 -0.610224D+00  0.586850D+01
      2   0.218268D+01  0.481605D+02  0.366837D+02 -0.511053D+00 -0.176210D+02
      3   0.436844D+01 -0.260749D+03 -0.289835D+03  0.198738D+02  0.199594D+03
               176           177           178           179           180 
      1  -0.887033D+02  0.109205D+02  0.145985D+02 -0.254666D+01  0.241413D+01
      2  -0.696689D+02  0.117208D+01 -0.129114D+02 -0.311692D+02 -0.530641D+01
      3   0.505037D+03 -0.162029D+02  0.164062D+02  0.128636D+03 -0.294627D+01
               181           182           183           184           185 
      1  -0.233346D+02 -0.382205D+02  0.229938D+01  0.303898D+01 -0.618210D+02
      2  -0.306871D+02 -0.140574D+02  0.504272D+01 -0.201420D+02 -0.283813D+02
      3   0.152357D+03  0.142087D+03 -0.202177D+02  0.834452D+02  0.274547D+03
               186           187           188           189           190 
      1   0.523372D+01  0.189764D+02 -0.937990D+01 -0.178543D+01  0.124006D+02
      2  -0.153065D+01 -0.155453D+01 -0.485673D+02 -0.680862D+01  0.633629D+01
      3  -0.390971D+02  0.288664D+02  0.778911D+02  0.110954D+02 -0.606339D+02
               191           192           193           194           195 
      1  -0.115914D+02  0.467540D+01 -0.364988D+02  0.745037D+02 -0.154107D+02
      2  -0.694855D+01  0.809053D+01 -0.134415D+02  0.545751D+02 -0.790854D+01
      3   0.355025D+02 -0.162940D+02 -0.170246D+00 -0.387836D+03  0.650766D+02
               196           197           198           199           200 
      1  -0.118733D+01  0.453638D+02  0.388625D+01  0.229979D+01  0.212974D+02
      2   0.198065D+02  0.268637D+02  0.936485D+01 -0.927565D+01 -0.371771D+01
      3  -0.648737D+01 -0.652076D+02 -0.920240D+01 -0.378911D+02 -0.582034D+02
               201           202           203           204           205 
      1   0.709220D+00  0.102907D+02  0.254900D+02 -0.346428D+01 -0.361146D+00
      2  -0.467936D+00  0.216137D+02  0.427434D+01 -0.389833D+01 -0.598970D+01
      3  -0.155685D+01 -0.239647D+03 -0.950152D+02  0.606522D+02 -0.106778D+03
               206           207           208           209           210 
      1   0.263372D+02  0.327469D+01  0.252309D+01  0.608768D+02  0.288037D+01
      2  -0.204112D+01  0.364959D+01  0.312940D+02  0.479380D+02 -0.510262D+00
      3  -0.794542D+02  0.256407D+02 -0.250948D+03 -0.335927D+03  0.415382D+02
               211           212           213           214           215 
      1  -0.124013D+02  0.529408D+02 -0.859741D+01  0.319548D+02  0.225740D+02
      2   0.172242D+02  0.577001D+02 -0.289224D+01  0.103227D+01 -0.322067D+01
      3  -0.144952D+03 -0.353564D+03  0.252539D+02 -0.342478D+02 -0.770570D+02
               216           217           218           219           220 
      1  -0.772569D+01 -0.450771D+01 -0.615526D+02  0.238052D+01  0.807548D+01
      2  -0.445159D+00 -0.462661D+02 -0.313365D+02  0.843887D+01  0.118688D+02
      3  -0.186010D+02  0.362210D+03  0.269834D+03 -0.795176D+02 -0.416161D+02
               221           222           223           224           225 
      1   0.509857D+01 -0.552026D+01 -0.129353D+02 -0.234075D+02 -0.115133D+02
      2  -0.101869D+02 -0.356745D+01 -0.225244D+02 -0.192545D+02 -0.795113D+01
      3   0.699899D+02  0.145988D+02 -0.366959D+02  0.131660D+02  0.497300D+02
               226           227           228           229           230 
      1   0.460267D+00 -0.619704D+01 -0.116130D+01  0.115639D-01 -0.427988D+02
      2  -0.461243D+00 -0.222489D+02 -0.302239D+01 -0.404573D+02 -0.986174D+01
      3  -0.686003D+02  0.985352D+02  0.250068D+02  0.372741D+03  0.152719D+03
               231           232           233           234           235 
      1   0.757242D+01 -0.542539D+01 -0.436138D+01 -0.242100D+01 -0.108049D+01
      2   0.118962D+02 -0.354646D+02 -0.964729D+01  0.893005D+01  0.107559D+02
      3  -0.101627D+03  0.124578D+03  0.423615D+02 -0.346415D+02 -0.563994D+02
               236           237           238           239           240 
      1   0.110921D+02 -0.810109D+00 -0.232876D+00  0.550049D+00 -0.206096D+01
      2   0.256511D+02 -0.302948D+01  0.443141D+00 -0.498806D+01  0.128023D+01
      3  -0.129784D+03  0.123252D+02  0.375881D+02  0.187192D+02 -0.658798D+01
               241           242           243           244           245 
      1  -0.112252D+02 -0.115839D+02 -0.758616D+01 -0.176306D+01 -0.138687D+02
      2  -0.224018D+02  0.298214D+00  0.112228D+02 -0.837547D+01 -0.127225D+02
      3   0.360750D+02  0.464794D+02 -0.266854D+01  0.877437D+02  0.724136D+02
               246           247           248           249           250 
      1  -0.700977D+01  0.168860D+02  0.439264D+01 -0.296116D+01 -0.143863D+02
      2   0.836108D+01  0.950334D+00  0.173750D+01 -0.500856D+01  0.735202D+01
      3  -0.148142D+02  0.124900D+02 -0.461592D+02 -0.845809D+01 -0.306291D+01
               251           252           253           254           255 
      1   0.479975D+01  0.780583D+01  0.673440D+01  0.554701D+01 -0.599186D+01
      2   0.142151D+02 -0.526101D+01 -0.324421D+02 -0.945041D+01  0.477475D+01
      3  -0.385256D+02  0.218304D+02  0.192803D+03  0.634864D+02 -0.665929D+02
               256           257           258           259           260 
      1   0.519239D+01 -0.926285D+01 -0.570350D+01 -0.108884D+02  0.746194D+01
      2  -0.578721D+01 -0.980191D+00  0.107186D+02 -0.116585D+02 -0.440706D+01
      3  -0.279549D+01  0.250232D+02 -0.154764D+02 -0.342952D+02 -0.200080D+02
               261           262           263           264           265 
      1   0.100356D+02 -0.732525D+01  0.146844D+01  0.535914D+01 -0.562055D+01
      2   0.709882D+01  0.183916D+02  0.132014D+02 -0.243051D+01  0.631963D+01
      3   0.174067D+02 -0.183718D+03 -0.567242D+02  0.596367D+02 -0.832797D+01
               266           267           268           269           270 
      1  -0.364136D+01 -0.832511D-01  0.348329D+01  0.716596D+01  0.370715D+01
      2   0.158713D+01 -0.523328D+01 -0.115960D+02 -0.528814D+01 -0.335957D+01
      3   0.183852D+02  0.137506D+02 -0.348350D+01 -0.849912D+01  0.119616D+02
               271           272           273           274           275 
      1   0.216018D+01 -0.269208D+01  0.561944D+01  0.327440D+01 -0.371617D+01
      2   0.119215D+01 -0.141678D+01  0.266287D+01 -0.595143D+00  0.156701D+01
      3  -0.184592D+02  0.201661D+02 -0.229217D+01  0.171025D+02 -0.240883D+02
               276           277           278           279           280 
      1  -0.201964D+01  0.278194D+01 -0.560483D-01  0.182491D-01 -0.500198D+01
      2  -0.932077D+00  0.142328D+01 -0.343529D-01  0.482448D+00 -0.151270D+01
      3  -0.611489D+01 -0.987590D+01  0.275962D+01 -0.653662D+01  0.565214D+01
               281           282           283           284           285 
      1  -0.900132D+00 -0.668490D+01 -0.642608D+00 -0.125049D+02 -0.122122D+02
      2   0.505275D+00 -0.657906D+00 -0.110012D+01  0.177988D+01  0.200631D+01
      3  -0.402909D+01  0.674702D+01 -0.111999D+00 -0.336138D+01 -0.388777D+01
               286           287           288           289           290 
      1  -0.117933D+01 -0.948458D+01 -0.601458D+01 -0.892332D+01 -0.356883D+00
      2  -0.164058D+01  0.224223D+00  0.154575D+01  0.210170D+01  0.663732D+00
      3   0.702212D+01  0.187942D+01 -0.592010D+00  0.118186D+02  0.642741D+00
               291           292           293           294           295 
      1  -0.584617D+01  0.644792D-01 -0.233740D+01 -0.136085D+01 -0.179188D+01
      2   0.728945D+01  0.385035D+01 -0.148891D+01  0.282256D+01 -0.128323D+01
      3   0.550497D+01 -0.630228D+01  0.110640D+02 -0.158285D+01  0.586711D+01
               296           297           298           299           300 
      1  -0.153978D+01 -0.419191D+00  0.218823D+00 -0.373664D+01 -0.894380D+00
      2   0.134266D+01  0.260312D+01  0.280203D+01  0.181696D+01  0.346457D+01
      3  -0.286135D+01 -0.115320D+01 -0.632880D+01  0.409738D+01 -0.560371D+01
               301           302           303           304           305 
      1  -0.132971D+01  0.158791D+00 -0.508160D+01  0.129544D+01  0.123060D+01
      2   0.203782D+01  0.133707D+02  0.836290D+01  0.261017D+01  0.213758D+01
      3  -0.350950D+01 -0.298585D+02 -0.131784D+02 -0.708972D+01 -0.790432D+01
               306           307           308           309           310 
      1  -0.313658D+01 -0.386976D+01  0.461342D+00  0.271359D+01  0.409747D+01
      2   0.487394D+01 -0.397284D+01 -0.307286D+00  0.434734D+01  0.409243D+01
      3  -0.539544D+01  0.139859D+02 -0.457172D+01  0.719197D-01 -0.112190D+02
               311           312           313           314           315 
      1  -0.528366D+01 -0.330668D+01 -0.409236D+00  0.742056D+00 -0.334827D+00
      2  -0.713041D+01 -0.426612D+01 -0.191846D+00  0.275419D+01 -0.517795D+00
      3   0.240983D+02  0.286669D+01 -0.250568D+01  0.545903D+01 -0.297597D+01
               316           317           318           319           320 
      1   0.116473D+01  0.296867D+00  0.293472D+00  0.845261D+00  0.351232D+01
      2   0.768520D+01 -0.186891D+00  0.855587D+01  0.399606D+01  0.452554D+01
      3  -0.168216D+02 -0.127655D+01 -0.473184D+01 -0.817024D+01 -0.144563D+02
               321           322           323           324           325 
      1  -0.415937D-01 -0.220445D+00 -0.935969D+00 -0.673346D+00 -0.210419D+01
      2   0.233572D+01 -0.754936D-01 -0.221224D+01  0.170660D+01  0.240582D+01
      3  -0.318287D+01 -0.596504D+01  0.627514D+00  0.204171D+01 -0.162475D+02
               326           327           328           329           330 
      1   0.299314D+01  0.399015D+01  0.440198D+01 -0.110094D+01 -0.483595D+01
      2   0.453773D+00  0.320744D+01  0.185004D+01  0.147685D+00 -0.307324D+01
      3  -0.198499D+01  0.205211D+01 -0.181575D+01 -0.456355D+01 -0.138818D+01
               331           332           333           334           335 
      1  -0.307547D+01 -0.182153D+01 -0.112575D+01 -0.121683D+01 -0.159605D+01
      2  -0.106290D+01  0.157716D+00 -0.148821D+01 -0.283458D+01 -0.285937D+01
      3  -0.166756D+01 -0.776073D+01  0.486475D+01  0.144226D+02  0.149032D+02
               336           337           338           339           340 
      1  -0.117422D+01 -0.120628D+01 -0.915856D+01 -0.860205D+01  0.302263D+01
      2   0.109129D+00 -0.160147D+01 -0.791978D+01 -0.257995D+01  0.166947D+01
      3   0.471783D+00  0.457083D+01  0.297418D+02  0.101129D+02 -0.453229D+01
               341           342           343           344           345 
      1   0.252128D+01 -0.287572D+01 -0.127173D+01 -0.108664D+01 -0.168854D+01
      2  -0.347303D+00 -0.301508D+00  0.941553D+00  0.639559D-01  0.545270D+00
      3   0.566087D+01  0.185286D+00  0.107635D+01  0.222464D+01  0.198004D+01
               346           347           348           349           350 
      1  -0.314746D+01 -0.801735D+01 -0.812007D+01 -0.634197D+00 -0.196147D+01
      2   0.185120D+00  0.371300D+01  0.263679D+01 -0.172610D+00  0.553489D+00
      3   0.365399D+01  0.432849D-01  0.906011D+00  0.332315D+01 -0.246354D+01
               351           352           353           354           355 
      1  -0.297907D+01 -0.727580D+00 -0.544025D+00 -0.289333D+01 -0.276315D+01
      2   0.456668D+00 -0.152106D+01 -0.673116D+00  0.448117D+01  0.244873D+01
      3   0.136071D-01  0.325434D+02  0.101187D+02 -0.203590D+01  0.665382D+01
               356           357           358           359           360 
      1  -0.139177D+01 -0.116725D+01  0.126724D+01 -0.605729D-01 -0.768041D+00
      2   0.137715D+01  0.132628D+01 -0.104991D+01 -0.118716D+01  0.595948D+00
      3   0.257782D+01  0.221468D+01 -0.409617D+01  0.958524D+00 -0.209043D-01
               361           362           363           364           365 
      1   0.238894D+01 -0.558564D+01 -0.107796D+01  0.255181D-01  0.101225D+02
      2   0.823825D+01  0.486196D+01  0.137298D+02 -0.354584D+01 -0.606078D+01
      3  -0.274884D+01 -0.403150D+02  0.484863D+01  0.228532D+02  0.425613D+02
               366           367           368           369           370 
      1  -0.607913D+01 -0.925879D+01  0.134702D+02  0.848030D+01 -0.404628D-01
      2  -0.549294D+01 -0.290165D+01 -0.775469D+01 -0.119184D+02 -0.227800D+01
      3  -0.432176D+01  0.185645D+02  0.201476D+02  0.196319D+02  0.148983D+01
               371           372           373           374           375 
      1   0.394585D+01 -0.759104D+00 -0.349350D+00  0.605217D+01 -0.105258D+01
      2  -0.218546D+01  0.117675D+00 -0.335610D+01 -0.453519D+01  0.226704D+00
      3   0.506806D+00  0.201468D+01  0.906099D+01  0.143268D+02 -0.557826D+00
               376           377           378 
      1   0.160074D+01  0.503274D+01 -0.454935D+00
      2  -0.808515D+00 -0.706742D+00 -0.716137D+00
      3  -0.268502D+01  0.309659D+01  0.284535D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.215010D+01 -0.325699D+01  0.234829D+01  0.171548D+01 -0.523424D+00
      2  -0.196361D+01  0.222404D+01  0.310357D+01  0.200418D+01 -0.173737D+01
      3  -0.186492D+00  0.103295D+01 -0.545187D+01 -0.371966D+01  0.226080D+01
      4   0.403897D+00 -0.874413D+00  0.596481D+00  0.276825D+00 -0.306880D+00
      5  -0.716366D+01  0.696378D+01  0.306653D+01  0.646176D+01 -0.813964D+01
      6   0.323286D+01 -0.479355D+01 -0.770087D+00 -0.267894D+01  0.602272D+01
                 6             7             8             9            10 
      1  -0.357322D+01  0.204177D+01 -0.354728D+01 -0.470959D+00 -0.775377D+01
      2  -0.474115D+01  0.822793D+00 -0.145518D+01 -0.242933D+01  0.124234D+02
      3   0.831437D+01 -0.286456D+01  0.500246D+01  0.290029D+01 -0.466961D+01
      4   0.829149D+00  0.110773D+01  0.696361D+00  0.312022D-01  0.183738D+02
      5  -0.500564D+01  0.235327D+01 -0.512478D+00 -0.441594D+01 -0.267688D+02
      6   0.338296D+01 -0.679740D+00  0.232096D+01  0.356335D+01  0.120112D+02
                11            12            13            14            15 
      1   0.652262D+01  0.158191D+02 -0.895345D+01  0.103901D+01 -0.671956D+01
      2   0.464235D+01  0.345723D+02  0.141082D+02 -0.251711D+00  0.142874D+02
      3  -0.111650D+02 -0.503914D+02 -0.515471D+01 -0.787301D+00 -0.756787D+01
      4  -0.138847D+00  0.589802D+01  0.664432D+01  0.151661D+02  0.656899D+01
      5   0.844365D+01  0.294711D+01 -0.161969D+02  0.383461D+01 -0.110949D+01
      6  -0.677020D+01  0.158253D+02  0.133958D+02  0.360634D+01  0.135564D+02
                16            17            18            19            20 
      1  -0.562690D+01 -0.181354D+01 -0.552328D+00  0.160095D+02 -0.979420D+01
      2   0.305306D+02 -0.269029D+01  0.259856D+02 -0.123713D+02  0.227181D+01
      3  -0.249037D+02  0.450383D+01 -0.254333D+02 -0.363815D+01  0.752240D+01
      4   0.103752D+02 -0.200666D+01  0.235514D+02 -0.216074D+02  0.932566D+01
      5  -0.129883D+02  0.219745D+02 -0.288070D+02  0.222915D+02 -0.249803D+02
      6   0.232679D+02 -0.131843D+02  0.205781D+02 -0.179112D+02  0.165043D+02
                21            22            23            24            25 
      1   0.144260D+02 -0.181634D+01  0.156938D+02  0.128459D+02  0.123607D+01
      2   0.577975D+01 -0.199246D+02 -0.784610D+01 -0.113711D+02 -0.205876D+02
      3  -0.202058D+02  0.217409D+02 -0.784767D+01 -0.147479D+01  0.193516D+02
      4  -0.161926D+02  0.902409D+01 -0.483590D+01 -0.174385D+01 -0.158648D+02
      5   0.167949D+01  0.166132D+02  0.118160D+02  0.197200D+02  0.224663D+02
      6   0.268028D+00  0.302756D+01 -0.121815D+02 -0.780462D+01 -0.219630D+02
                26            27            28            29            30 
      1   0.590089D+01 -0.271294D+02 -0.223692D+01  0.771575D+00 -0.351620D+01
      2   0.115039D+02 -0.455416D+02 -0.824405D+01 -0.142108D+01 -0.106759D+02
      3  -0.174048D+02  0.726710D+02  0.104810D+02  0.649504D+00  0.141921D+02
      4  -0.781263D+00 -0.182474D+02  0.782139D+00  0.282173D+01  0.912343D+00
      5  -0.201676D+02  0.119081D+02  0.697562D+01  0.337453D+01  0.137087D+02
      6   0.483710D+01 -0.465402D+02  0.131479D+01  0.197647D+01 -0.174016D+01
                31            32            33            34            35 
      1  -0.443379D+01 -0.124605D+02 -0.247493D+02 -0.554542D+01 -0.112087D+02
      2  -0.663278D+01 -0.115807D+02 -0.277455D+02 -0.114775D+02 -0.145605D+02
      3   0.110666D+02  0.240412D+02  0.524948D+02  0.170229D+02  0.257693D+02
      4   0.423402D+01  0.692360D+01  0.927048D+01  0.400540D+01  0.506134D+01
      5   0.535104D+01  0.606109D+01  0.101795D+02  0.113929D+02  0.871283D+01
      6   0.692847D+01  0.155496D+02  0.210515D+02  0.711432D+01  0.115791D+02
                36            37            38            39            40 
      1  -0.261362D+02 -0.170387D+01  0.907516D+01 -0.765079D+01  0.276099D+02
      2  -0.348125D+02 -0.834356D+01 -0.179779D+02 -0.118277D+02 -0.166692D+02
      3   0.609488D+02  0.100474D+02  0.890271D+01  0.194784D+02 -0.109407D+02
      4   0.102215D+02 -0.267763D+01  0.711174D+01  0.331573D+01 -0.331985D+02
      5   0.190961D+02 -0.195042D+01  0.121561D+02  0.736363D+00  0.184168D+02
      6   0.220350D+02  0.459312D+01 -0.121302D+01  0.561808D+01 -0.222363D+02
                41            42            43            44            45 
      1  -0.137168D+02  0.138397D+02 -0.254076D+02  0.660476D+01 -0.496976D+02
      2   0.216585D+01  0.142727D+02  0.100622D+01  0.213389D+01 -0.161119D+02
      3   0.115509D+02 -0.281124D+02  0.244014D+02 -0.873866D+01  0.658094D+02
      4   0.128266D+02 -0.163965D+02 -0.340027D+02  0.242190D+02 -0.263203D+02
      5  -0.224356D+02 -0.673904D+01  0.671364D+01 -0.254284D+02  0.151301D+02
      6   0.182507D+02  0.562569D+01 -0.401005D+02  0.402552D+02 -0.504188D+02
                46            47            48            49            50 
      1   0.258106D+02 -0.198989D+01  0.104169D+02 -0.408746D+01  0.134497D+01
      2  -0.478179D+02  0.759307D+01 -0.391446D+02 -0.233734D+01 -0.299446D+01
      3   0.220073D+02 -0.560319D+01  0.287277D+02  0.642480D+01  0.164949D+01
      4  -0.267277D+02  0.974387D+01 -0.206012D+02  0.100180D+02 -0.392585D+01
      5   0.687835D+02 -0.132462D+02  0.574033D+02 -0.235176D+01  0.721273D+01
      6  -0.269390D+02  0.106964D+02 -0.255071D+02  0.761700D+01 -0.400016D+01
                51            52            53            54            55 
      1  -0.418488D+01  0.127370D+02 -0.453501D+00  0.635311D+01  0.213878D+02
      2  -0.697876D+01 -0.381728D+02  0.305006D+01 -0.373414D+02 -0.715666D+01
      3   0.111636D+02  0.254358D+02 -0.259656D+01  0.309883D+02 -0.142312D+02
      4   0.662886D+01 -0.131503D+02  0.444693D+01 -0.119879D+02  0.167898D+02
      5   0.193341D+01  0.505133D+02 -0.618067D+01  0.489881D+02 -0.662055D+00
      6   0.470564D+01 -0.156386D+02  0.569944D+01 -0.160360D+02  0.159925D+02
                56            57            58            59            60 
      1   0.440027D-01  0.156104D+02  0.914769D+01 -0.187722D+02  0.176024D+02
      2   0.144198D+01 -0.719124D+01  0.257245D+02  0.383513D+00  0.830233D+01
      3  -0.148599D+01 -0.841921D+01 -0.348722D+02  0.183887D+02 -0.259047D+02
      4  -0.165933D+02  0.167134D+02  0.107039D+02 -0.130093D+01  0.280750D+02
      5   0.132524D+02  0.577978D+01 -0.268494D+02  0.218769D+02 -0.222653D+02
      6  -0.228518D+02  0.109962D+02  0.318283D+02 -0.352049D+02  0.413868D+02
                61            62            63            64            65 
      1  -0.972459D+01  0.198034D+02  0.168531D+02  0.122918D+02 -0.425108D+01
      2   0.307910D+02 -0.243127D+02  0.184629D+02  0.124555D+02 -0.174928D+02
      3  -0.210665D+02  0.450935D+01 -0.353160D+02 -0.247473D+02  0.217439D+02
      4   0.391674D+02 -0.213231D+01  0.191642D+02 -0.486805D+02  0.445414D+02
      5  -0.217455D+02  0.198158D+02 -0.110043D+02  0.158194D+02 -0.139578D+02
      6   0.291263D+02 -0.396083D+00  0.162263D+02 -0.211168D+02  0.229274D+02
                66            67            68            69            70 
      1  -0.162465D+00 -0.542927D+01 -0.235150D+01  0.160084D+01  0.216929D+01
      2   0.286988D+01 -0.218886D+02  0.329472D+02 -0.474164D+01 -0.404969D+01
      3  -0.270742D+01  0.273179D+02 -0.305957D+02  0.314080D+01  0.188040D+01
      4  -0.106677D+02  0.464745D+02 -0.504299D+02  0.681683D+01 -0.435977D+00
      5   0.728012D+01 -0.995905D+01  0.102810D+02 -0.465701D+01  0.636199D+01
      6  -0.968352D+01  0.188390D+02 -0.238055D+02  0.735032D+01 -0.546796D+01
                71            72            73            74            75 
      1  -0.204294D+01 -0.125092D+00 -0.309575D+02  0.134757D+01 -0.300270D+02
      2   0.737382D+01  0.263784D+01 -0.217594D+02  0.660419D+01 -0.265916D+02
      3  -0.533088D+01 -0.251275D+01  0.527169D+02 -0.795175D+01  0.566186D+02
      4  -0.315559D+01 -0.592872D+01 -0.470570D+02  0.174102D+02 -0.351181D+02
      5  -0.489455D+01  0.220921D+01  0.211819D+02 -0.184324D+02  0.215548D+02
      6   0.354813D+01 -0.269937D+01 -0.390910D+02  0.750530D+01 -0.347041D+02
                76            77            78            79            80 
      1   0.454204D+02 -0.377328D+02  0.344957D+02  0.605137D+00 -0.539241D+01
      2   0.411322D+02  0.366900D+02  0.799021D+02  0.102188D+02  0.101704D+02
      3  -0.865527D+02  0.104276D+01 -0.114398D+03 -0.108239D+02 -0.477803D+01
      4   0.484141D+02 -0.332626D+02  0.453930D+02 -0.766480D+00 -0.740457D+01
      5  -0.468328D+02  0.515462D+01 -0.462903D+02 -0.699178D+01 -0.588845D+01
      6   0.586230D+02 -0.159318D+02  0.699033D+02  0.353825D+01  0.112230D+02
                81            82            83            84            85 
      1  -0.401942D+01 -0.691231D+02  0.112315D+03 -0.220485D+02 -0.192392D+02
      2   0.334238D+02  0.494590D+01 -0.922361D+02 -0.323285D+02 -0.103997D+02
      3  -0.294044D+02  0.641772D+02 -0.200794D+02  0.543771D+02  0.296389D+02
      4   0.908373D-01 -0.429828D+02  0.251333D+02 -0.249802D+02 -0.263757D+02
      5  -0.202258D+02  0.171869D+02 -0.309331D+01  0.284876D+02  0.134984D+02
      6   0.104013D+02 -0.257274D+02 -0.722808D+01 -0.467891D+02 -0.100378D+02
                86            87            88            89            90 
      1  -0.104919D+02 -0.139806D+01 -0.560575D+02  0.995493D+02 -0.414738D+02
      2   0.147654D+02 -0.445634D+02  0.539437D+01 -0.105430D+03 -0.190423D+02
      3  -0.427357D+01  0.459614D+02  0.506632D+02  0.588087D+01  0.605161D+02
      4   0.330820D+02 -0.674687D+01 -0.155415D+02  0.164662D+02 -0.307527D+02
      5  -0.704320D+00  0.206669D+02  0.323071D+02 -0.822313D+01  0.268324D+02
      6  -0.149452D+02 -0.122521D+02 -0.485907D+02  0.402966D+02 -0.574497D+02
                91            92            93            94            95 
      1   0.657787D+02 -0.283619D+02  0.444799D+02 -0.125220D+02  0.891000D+01
      2   0.273037D+02  0.180589D+02  0.545732D+02 -0.441722D+02 -0.120258D+02
      3  -0.930824D+02  0.103030D+02 -0.990531D+02  0.566941D+02  0.311581D+01
      4   0.641372D+02 -0.300733D+02  0.504204D+02 -0.321960D+02  0.653841D+01
      5  -0.377501D+02  0.589541D+01 -0.337194D+02  0.308013D+02 -0.103769D+02
      6   0.594538D+02 -0.135877D+02  0.669614D+02 -0.453653D+02  0.661262D+01
                96            97            98            99           100 
      1  -0.117098D+02  0.235026D+02 -0.882809D+01  0.196673D+02 -0.284898D+02
      2  -0.595336D+02 -0.978180D+01  0.503857D+01 -0.283639D+01 -0.217151D+02
      3   0.712434D+02 -0.137208D+02  0.378952D+01 -0.168309D+02  0.502049D+02
      4  -0.396130D+02  0.149367D+02 -0.248636D+02  0.106052D+02 -0.364420D+02
      5   0.381915D+02 -0.387408D+00 -0.515195D+01 -0.233035D+01  0.448079D+01
      6  -0.485777D+02  0.761276D+01 -0.277247D+01  0.742880D+01 -0.296871D+02
               101           102           103           104           105 
      1  -0.281019D+02 -0.213343D+02 -0.128037D+03  0.194459D+03 -0.839592D+02
      2   0.182387D+02 -0.277533D+02  0.528055D+02 -0.150710D+03  0.333576D+02
      3   0.986324D+01  0.490876D+02  0.752311D+02 -0.437496D+02  0.506016D+02
      4   0.356768D+02 -0.286812D+02 -0.554964D+02 -0.100939D+02 -0.445830D+02
      5   0.129388D+02  0.162606D+02  0.685864D+01 -0.452505D+02  0.200972D+01
      6   0.547346D+01 -0.300929D+02 -0.584021D+02  0.218512D+02 -0.346029D+02
               106           107           108           109           110 
      1  -0.855110D+02  0.767675D+02 -0.519104D+02 -0.158221D+02  0.579519D+02
      2   0.201356D+02 -0.503530D+02 -0.742147D+01  0.552016D+02 -0.653722D+02
      3   0.653753D+02 -0.264145D+02  0.593319D+02 -0.393795D+02  0.742033D+01
      4  -0.444318D+02  0.103492D+02 -0.342589D+02  0.530495D+02  0.262976D+02
      5   0.869655D+01 -0.176785D+02  0.179233D+01  0.671841D+01  0.121499D+02
      6  -0.433858D+02  0.122251D+02 -0.421483D+02  0.351910D+02 -0.114113D+02
               111           112           113           114           115 
      1   0.252120D+02  0.152506D+03 -0.225415D+03  0.975984D+02  0.592709D+02
      2   0.105563D+02 -0.616643D+02  0.173342D+03 -0.240457D+02 -0.360740D+01
      3  -0.357683D+02 -0.908418D+02  0.520733D+02 -0.735527D+02 -0.556635D+02
      4   0.415070D+02  0.607783D+02 -0.135924D+02  0.407464D+02  0.409798D+02
      5   0.371297D+01 -0.140456D+02  0.510969D+02 -0.797034D+01 -0.497282D+01
      6   0.251745D+02  0.605605D+02 -0.301595D+02  0.428559D+02  0.435672D+02
               116           117           118           119           120 
      1  -0.622434D+02  0.385545D+02  0.114935D+03 -0.184378D+03  0.639476D+02
      2   0.248576D+02  0.284466D+01 -0.508182D+02  0.175252D+03 -0.692384D+01
      3   0.373858D+02 -0.413991D+02 -0.641169D+02  0.912516D+01 -0.570237D+02
      4  -0.136715D+02  0.411761D+02  0.512711D+02 -0.536250D+02  0.203596D+02
      5   0.356003D+02 -0.598616D+01 -0.257384D+02  0.137240D+02 -0.230409D+02
      6  -0.307858D+01  0.403578D+02  0.319314D+02 -0.428228D+02  0.256721D+02
               121           122           123           124           125 
      1  -0.606475D+02  0.945059D+02 -0.239252D+02  0.585440D+02 -0.597442D+02
      2   0.487618D+02 -0.610389D+02  0.114316D+02 -0.399089D+02  0.452288D+02
      3   0.118857D+02 -0.334670D+02  0.124937D+02 -0.186351D+02  0.145154D+02
      4   0.860156D+01  0.249469D+02 -0.321274D+01  0.159123D+02 -0.461782D+02
      5   0.664192D+01 -0.214199D+02  0.623518D+01 -0.438529D+01  0.426703D+01
      6  -0.139258D+02 -0.754553D+01 -0.190195D+02  0.263667D+02 -0.104494D+02
               126           127           128           129           130 
      1   0.178678D+02 -0.129134D+03  0.159342D+03 -0.503262D+02 -0.861326D+01
      2   0.355753D+01  0.781296D+02 -0.626722D+02  0.340014D+02  0.501798D+01
      3  -0.214254D+02  0.510041D+02 -0.966693D+02  0.163248D+02  0.359528D+01
      4   0.116086D+02 -0.123006D+02 -0.140852D+03 -0.250836D+01 -0.317736D+01
      5  -0.211537D+02 -0.154988D+02 -0.117564D+03  0.126290D+01 -0.208905D+02
      6   0.525103D+02 -0.212461D+02  0.100509D+02 -0.914792D+01  0.162693D+02
               131           132           133           134           135 
      1  -0.778295D+02  0.155734D+02 -0.332022D+02  0.222865D+02 -0.126108D+02
      2   0.950949D+02 -0.255759D+02  0.274893D+02  0.108165D+02  0.449877D+01
      3  -0.172655D+02  0.100024D+02  0.571293D+01 -0.331031D+02  0.811199D+01
      4  -0.645642D+02  0.132924D+02  0.601554D+01 -0.578689D+02  0.321304D+01
      5  -0.502001D+02  0.704227D+01 -0.184637D+02 -0.486709D+02 -0.699626D+01
      6  -0.378843D+01 -0.349435D+01 -0.218082D+00  0.195714D+01  0.119691D+01
               136           137           138           139           140 
      1   0.151705D+03 -0.161177D+03  0.543298D+02 -0.309323D+02  0.708665D+02
      2  -0.815449D+02  0.575571D+02 -0.222912D+02  0.247996D+02 -0.104068D+03
      3  -0.701603D+02  0.103620D+03 -0.320386D+02  0.613276D+01  0.332019D+02
      4  -0.921720D+00  0.129557D+03 -0.911576D+01  0.519947D+02  0.769075D+02
      5   0.160137D+02  0.124179D+03 -0.953497D+01  0.224406D+02  0.586303D+02
      6   0.151063D+02 -0.866968D+01  0.111424D+02  0.179962D+02 -0.438866D+01
               141           142           143           144           145 
      1  -0.554546D+01  0.125918D+02 -0.317081D+02  0.231876D+02  0.315221D+02
      2   0.845733D+01 -0.100460D+02 -0.528463D+01 -0.247082D+02  0.112108D+02
      3  -0.291187D+01 -0.254580D+01  0.369928D+02  0.152058D+01 -0.427328D+02
      4   0.162294D+02  0.928562D+01  0.577906D+02  0.104172D+02  0.587158D+02
      5   0.464766D+01  0.355526D+02  0.598526D+02  0.102501D+02 -0.147208D+02
      6   0.660995D+01  0.177899D+02 -0.200211D+01  0.982011D+00  0.225908D+02
               146           147           148           149           150 
      1  -0.321297D+02  0.835312D+01 -0.145412D+02  0.224147D+02 -0.392865D+02
      2   0.118676D+02  0.351102D+01 -0.142343D+02  0.605626D+02  0.193122D+02
      3   0.202620D+02 -0.118641D+02  0.287755D+02 -0.829773D+02  0.199743D+02
      4   0.562182D+02  0.284408D+02 -0.633459D+02 -0.126435D+03 -0.385520D+02
      5   0.262295D+02  0.737411D+01 -0.412265D+02 -0.106584D+03 -0.196732D+02
      6   0.983184D+01  0.229345D+02 -0.511483D+02  0.137424D+01 -0.304765D+02
               151           152           153           154           155 
      1  -0.265174D+02 -0.195294D+02  0.594236D+01 -0.455938D+02  0.198739D+02
      2  -0.120965D+02  0.304007D+02 -0.227105D+02 -0.189236D+02  0.546857D+02
      3   0.386139D+02 -0.108713D+02  0.167681D+02  0.645174D+02 -0.745596D+02
      4  -0.408745D+02 -0.275311D+02  0.745760D+01 -0.756892D+02 -0.419924D+02
      5   0.234307D+02 -0.232520D+02  0.268193D+02 -0.158496D+02 -0.700500D+02
      6   0.880534D+01  0.450844D+01  0.930212D+01 -0.570070D+02  0.333651D+01
               156           157           158           159           160 
      1  -0.462635D+02  0.619249D+02 -0.109872D+02  0.452286D+02  0.751799D+00
      2   0.769075D+01 -0.207496D+02 -0.105598D+02 -0.284914D+02 -0.284801D+02
      3   0.385727D+02 -0.411754D+02  0.215471D+02 -0.167372D+02  0.277283D+02
      4  -0.611886D+02  0.727162D+02  0.802109D+02  0.144857D+02 -0.277082D+02
      5  -0.176450D+02  0.231999D+02  0.417817D+02  0.106950D+02  0.114625D+02
      6  -0.446249D+02  0.212050D+02 -0.177938D+02  0.104900D+02 -0.135426D+02
               161           162           163           164           165 
      1  -0.105321D+02 -0.280761D+02 -0.965842D+02 -0.744884D+02  0.114192D+01
      2  -0.178491D+02 -0.106628D+02  0.640865D+02  0.959880D+02 -0.225669D+00
      3   0.283812D+02  0.387389D+02  0.324977D+02 -0.214996D+02 -0.916253D+00
      4  -0.251699D+02 -0.605979D+00  0.715470D+02 -0.467203D+01 -0.145347D+02
      5   0.160551D+02  0.183131D+02 -0.560438D+02 -0.728194D+02  0.128630D+01
      6   0.265075D+02  0.355360D+01 -0.752213D+01  0.319261D+02  0.152920D+01
               166           167           168           169           170 
      1   0.725644D+02  0.580064D+02 -0.907148D+00  0.260941D+02  0.109308D+02
      2  -0.498485D+02 -0.120958D+03  0.946552D+01 -0.192438D+02 -0.261465D+02
      3  -0.227159D+02  0.629518D+02 -0.855837D+01 -0.685024D+01  0.152157D+02
      4  -0.151388D+02  0.105872D+03 -0.110730D+02 -0.388307D-02  0.333749D+02
      5   0.484471D+02  0.102469D+03 -0.870461D+01  0.645464D+01  0.354792D+02
      6  -0.135821D+02 -0.179239D+02 -0.354223D+00  0.783136D+00 -0.566320D+01
               171           172           173           174           175 
      1  -0.667608D+01  0.116889D+03  0.227785D+02 -0.930944D+01 -0.572194D+02
      2  -0.161236D+01 -0.690353D+02 -0.432371D+02  0.133269D+02  0.444260D+02
      3   0.828844D+01 -0.478532D+02  0.204586D+02 -0.401748D+01  0.127934D+02
      4   0.411199D+00 -0.889521D+02 -0.104727D+02 -0.189594D+01  0.747155D+01
      5   0.218989D+01  0.520138D+02  0.640994D+02 -0.102164D+02 -0.684287D+02
      6  -0.253475D+01 -0.127285D+02 -0.152911D+02 -0.231911D+01  0.194976D+01
               176           177           178           179           180 
      1  -0.881614D+02 -0.300287D+01 -0.209153D+01 -0.182009D+02 -0.104857D+01
      2   0.168694D+03  0.326763D+01  0.108110D+02  0.406965D+02 -0.770730D+00
      3  -0.805331D+02 -0.264766D+00 -0.871944D+01 -0.224956D+02  0.181929D+01
      4  -0.112208D+03 -0.186088D+01 -0.553494D+01 -0.235410D+02 -0.167338D+02
      5  -0.140149D+03  0.641688D+01  0.373304D+00 -0.484319D+02 -0.869116D+01
      6   0.485874D+02  0.433015D-01 -0.134100D+02  0.272155D+02 -0.485498D+00
               181           182           183           184           185 
      1  -0.621547D+02  0.105693D+02  0.560949D+01 -0.156094D+03  0.548045D+02
      2   0.282588D+02 -0.128305D+02 -0.769996D+01  0.105218D+03 -0.344026D+02
      3   0.338959D+02  0.226117D+01  0.209048D+01  0.508757D+02 -0.204019D+02
      4   0.622475D+02  0.257804D+02  0.923879D+01  0.523324D+02 -0.237826D+02
      5  -0.308732D+02 -0.185623D+02  0.137504D+02 -0.414424D+02 -0.348318D+02
      6   0.140600D+02 -0.991469D+00 -0.244039D+01  0.217594D+02 -0.516655D+01
               186           187           188           189           190 
      1  -0.232856D+02 -0.783322D+02  0.364288D+02  0.171283D+02 -0.413228D+00
      2   0.996842D+01  0.532217D+02 -0.323264D+02 -0.137296D+02 -0.326072D+01
      3   0.133171D+02  0.251105D+02 -0.410244D+01 -0.339867D+01  0.367395D+01
      4   0.303253D+02  0.176451D+02  0.159788D+02 -0.199484D+02 -0.123413D+02
      5  -0.582715D+01  0.323013D+02 -0.589562D+02 -0.116883D+02 -0.133743D+02
      6   0.901556D+01 -0.836503D+01  0.203222D+02 -0.307760D+01 -0.625781D+00
               191           192           193           194           195 
      1   0.509143D+02 -0.281328D+02  0.174538D+03 -0.133184D+03  0.101725D+02
      2  -0.457979D+02  0.160714D+02 -0.101316D+03  0.899450D+02  0.429801D+01
      3  -0.511645D+01  0.120613D+02 -0.732218D+02  0.432393D+02 -0.144705D+02
      4   0.202799D+02  0.410469D+01 -0.829540D+02  0.506003D+02 -0.246511D+02
      5  -0.161552D+01  0.971329D+01 -0.123838D+02  0.602554D+02 -0.815855D+01
      6  -0.181706D+01  0.140774D+01 -0.981453D+01 -0.442193D-01  0.414344D+00
               196           197           198           199           200 
      1   0.110675D+02 -0.413221D+02  0.263775D+02  0.522667D+02  0.431767D+02
      2  -0.131166D+02  0.253044D+02 -0.254796D+02 -0.500016D+02 -0.434875D+02
      3   0.204908D+01  0.160177D+02 -0.897900D+00 -0.226514D+01  0.310715D+00
      4  -0.506738D+02  0.735065D+01 -0.107854D+02 -0.400337D+02 -0.279283D+02
      5   0.529331D+02  0.280726D+02  0.213682D+02  0.192900D+02  0.327489D+02
      6  -0.152145D+02 -0.710449D+00 -0.114965D+02  0.488733D+01 -0.196937D+02
               201           202           203           204           205 
      1  -0.796776D+01 -0.921285D+01  0.278528D+02  0.116195D+02 -0.187645D+01
      2   0.169072D+01  0.285406D+02 -0.413700D+02 -0.210719D+02  0.142271D+02
      3   0.627705D+01 -0.193278D+02  0.135171D+02  0.945238D+01 -0.123506D+02
      4   0.119068D+02 -0.132918D+03 -0.359807D+02  0.316915D+02 -0.522984D+02
      5   0.503399D+01  0.602757D+02  0.165134D+02 -0.137349D+02  0.285143D+02
      6  -0.491689D+01  0.240718D+02 -0.780677D+01 -0.706910D+01  0.117833D+02
               206           207           208           209           210 
      1   0.377229D+01  0.639962D+01  0.413692D+01  0.115413D+03  0.179035D+02
      2  -0.879048D+01 -0.133583D+02 -0.761004D+01 -0.162276D+03 -0.131719D+02
      3   0.501819D+01  0.695871D+01  0.347313D+01  0.468632D+02 -0.473162D+01
      4  -0.852867D+01  0.109437D+02 -0.504035D+02  0.389977D+02  0.217552D+02
      5   0.100397D+02 -0.319734D+01  0.670177D+02  0.814763D+02  0.160194D+01
      6  -0.301035D+01 -0.636835D+01  0.533180D+01 -0.461232D+02 -0.203747D+02
               211           212           213           214           215 
      1   0.202969D+02  0.658518D+02  0.244375D+01 -0.434654D+01  0.209929D+02
      2  -0.305416D+02 -0.122430D+03 -0.373471D+01  0.187113D+02 -0.446931D+02
      3   0.102447D+02  0.565779D+02  0.129096D+01 -0.143648D+02  0.237003D+02
      4   0.178614D+01  0.651067D+02  0.201190D+02 -0.377665D+01  0.287321D+02
      5   0.377768D+02  0.105362D+03 -0.172705D+01  0.394207D+02  0.164984D+02
      6   0.148195D+02 -0.487917D+02 -0.245751D+01 -0.389904D+02  0.583357D+01
               216           217           218           219           220 
      1  -0.543516D+01  0.224594D+02 -0.788705D+02 -0.154589D+02 -0.250168D+02
      2   0.609680D+00 -0.336349D+02  0.123010D+03  0.177124D+02  0.240234D+02
      3   0.482548D+01  0.111754D+02 -0.441395D+02 -0.225356D+01  0.993451D+00
      4  -0.278600D+02  0.116398D+03 -0.476206D+02 -0.436303D+02 -0.838015D+01
      5  -0.111525D+02 -0.816383D+02 -0.875237D+02  0.523780D+01  0.164459D+02
      6   0.109793D+02 -0.218843D+02  0.388664D+02  0.191568D+02  0.667530D+00
               221           222           223           224           225 
      1  -0.222634D+02  0.185617D+02 -0.138145D+02  0.522239D+01 -0.243106D+02
      2   0.391200D+02 -0.264985D+02  0.631900D+01 -0.336880D+02  0.151434D+02
      3  -0.168566D+02  0.793684D+01  0.749546D+01  0.284656D+02  0.916715D+01
      4  -0.416291D+02  0.490000D+01 -0.877091D+01 -0.484990D+01  0.903284D+00
      5  -0.132829D+02 -0.616458D+01  0.587511D+01 -0.194100D+02 -0.130843D+02
      6  -0.185798D+02 -0.247996D+00  0.187796D+02  0.510192D+02  0.169350D+02
               226           227           228           229           230 
      1  -0.699274D+02  0.529332D+00  0.133896D+02  0.169866D+02 -0.406469D+02
      2   0.637816D+02  0.199164D+01 -0.146851D+02 -0.358733D+02  0.628766D+02
      3   0.614581D+01 -0.252098D+01  0.129541D+01  0.188867D+02 -0.222297D+02
      4  -0.234361D+02  0.293615D+02  0.230002D+02  0.135406D+03  0.416222D+02
      5   0.250584D+02  0.791260D+01 -0.920227D+01 -0.761833D+02 -0.299542D+02
      6   0.127773D+02  0.626850D+00 -0.436971D+01 -0.262565D+02  0.120640D+02
               231           232           233           234           235 
      1  -0.910562D+01  0.137333D+02 -0.273526D+01 -0.204290D+02  0.557643D+02
      2   0.272463D+02 -0.185167D+02  0.707406D+01  0.186513D+02 -0.474906D+02
      3  -0.181407D+02  0.478344D+01 -0.433880D+01  0.177772D+01 -0.827371D+01
      4  -0.339598D+02  0.459840D+02  0.125390D+02 -0.131041D+02 -0.321559D+02
      5   0.173231D+02 -0.303393D+02 -0.762211D+01  0.107272D+02 -0.568519D+01
      6   0.984794D+01 -0.112975D+02  0.166551D+02  0.817399D+01 -0.129574D+01
               236           237           238           239           240 
      1   0.489999D+01 -0.153744D+02 -0.599086D+01  0.694599D+01  0.167776D+02
      2  -0.241961D+02  0.826113D+01  0.103165D+02 -0.819648D-01 -0.225064D+02
      3   0.192961D+02  0.711325D+01 -0.432560D+01 -0.686403D+01  0.572880D+01
      4  -0.641983D+02 -0.117685D+02  0.337022D+02  0.184985D+02 -0.112392D+02
      5  -0.253380D+01 -0.111329D+01  0.244054D+01 -0.118742D+02 -0.156028D+01
      6   0.555885D+01  0.134395D+01 -0.827545D+01 -0.249527D+02  0.212509D+01
               241           242           243           244           245 
      1  -0.111831D+02  0.202551D+02 -0.867854D+01 -0.811973D+01 -0.303082D+02
      2   0.818341D+01 -0.254164D+02  0.767953D+01 -0.272246D+01  0.441255D+02
      3   0.299969D+01  0.516130D+01  0.999013D+00  0.108422D+02 -0.138174D+02
      4   0.280920D+02  0.132964D+02  0.138592D+02  0.350761D+02  0.444782D+02
      5   0.885417D+01  0.908748D+01  0.882196D+01 -0.223155D+02  0.149716D+01
      6   0.936949D+01  0.228283D+02  0.109279D+02 -0.873219D+00  0.482483D+01
               246           247           248           249           250 
      1  -0.789180D+01  0.559391D+02 -0.167309D+02 -0.248573D+02  0.414471D+02
      2   0.128660D+02 -0.610624D+02 -0.642762D-01  0.208014D+02 -0.399447D+02
      3  -0.497424D+01  0.512328D+01  0.167952D+02  0.405586D+01 -0.150234D+01
      4   0.321174D+01 -0.127238D+02 -0.423800D+02 -0.256703D+02 -0.178551D+02
      5   0.213613D+02 -0.492043D+02 -0.101843D+02  0.109014D+02  0.156399D+02
      6   0.104980D+02 -0.249170D+02 -0.574654D+01  0.751637D+01  0.175904D+02
               251           252           253           254           255 
      1   0.581361D+01 -0.734805D+01  0.217217D+02  0.228548D+02 -0.904966D+01
      2  -0.175616D+02  0.345517D+01 -0.278699D+02  0.502880D+01  0.920231D+01
      3   0.117480D+02  0.389288D+01  0.614819D+01 -0.278836D+02 -0.152648D+00
      4  -0.421012D+02  0.139412D+02  0.790977D+02  0.192612D+02 -0.133435D+02
      5   0.980386D+01 -0.631701D+01 -0.331755D+02 -0.719566D+01  0.177189D+01
      6   0.175380D+02 -0.917127D+01 -0.628766D+01  0.822682D+01  0.532604D+01
               256           257           258           259           260 
      1  -0.292870D+02  0.836386D+01  0.111656D+02 -0.765151D+01 -0.648267D+01
      2   0.382604D+02  0.412172D+01 -0.165831D+01  0.167836D+02  0.760429D+01
      3  -0.897348D+01 -0.124856D+02 -0.950729D+01 -0.913207D+01 -0.112163D+01
      4  -0.115410D+02  0.413028D+02  0.163298D+02 -0.242180D+02  0.105349D+02
      5   0.116856D+02  0.877330D+01  0.106994D+02  0.197205D+02  0.963345D+01
      6   0.143884D+02 -0.112428D+01 -0.336220D+01  0.197642D+02  0.263614D+01
               261           262           263           264           265 
      1   0.768443D+01 -0.503596D+02 -0.129016D+02  0.173587D+02 -0.134625D+02
      2  -0.953886D+01  0.595736D+02 -0.793050D+01 -0.273517D+02  0.946820D+01
      3   0.185443D+01 -0.921397D+01  0.208321D+02  0.999300D+01  0.399434D+01
      4   0.151117D+02 -0.746268D+02 -0.216848D+02  0.939024D+01  0.102538D+02
      5  -0.546356D+01  0.545053D+02 -0.964456D+01 -0.204467D+02  0.161231D+02
      6  -0.118918D+02  0.772858D+01  0.208855D+01 -0.386318D+01 -0.310405D+01
               266           267           268           269           270 
      1   0.795083D+01  0.787807D+01  0.109891D+01  0.109162D+02 -0.125689D+02
      2  -0.148196D+02 -0.795000D+01 -0.276862D+01 -0.367529D+01 -0.930978D+01
      3   0.686879D+01  0.719238D-01  0.166971D+01 -0.724090D+01  0.218786D+02
      4  -0.138020D+02  0.105630D+00  0.136463D+02  0.737816D+01 -0.955479D+01
      5   0.204092D+01 -0.110539D+02  0.127053D+01 -0.101978D+02  0.134994D+01
      6  -0.709717D+01  0.101530D+01 -0.298469D+01  0.257196D+01 -0.954001D+01
               271           272           273           274           275 
      1  -0.998791D+01  0.224347D+02 -0.150193D+01  0.166179D+02 -0.393176D+02
      2   0.313194D+02 -0.531405D+02 -0.364911D+00 -0.381125D+02  0.832540D+02
      3  -0.213315D+02  0.307058D+02  0.186684D+01  0.214946D+02 -0.439364D+02
      4  -0.330801D+02  0.454683D+02  0.191894D+01  0.311956D+02 -0.510578D+02
      5  -0.266112D+01  0.393393D+01  0.310268D+01  0.544379D+01 -0.797641D+01
      6  -0.323075D+01  0.574604D+01 -0.664772D+01 -0.361425D+01  0.278151D+01
               276           277           278           279           280 
      1  -0.423620D+01  0.180049D+01 -0.874922D+01 -0.270175D+01 -0.259341D+01
      2   0.629149D+01 -0.617509D+01  0.147376D+02  0.299294D+01  0.599118D+01
      3  -0.205529D+01  0.437460D+01 -0.598840D+01 -0.291192D+00 -0.339777D+01
      4  -0.516955D+01 -0.367195D+01 -0.309013D+00 -0.676802D+01  0.750183D+01
      5  -0.239330D+01  0.312162D+01 -0.439983D+01 -0.154497D+00  0.121496D+01
      6   0.500806D+01 -0.545876D+01  0.793965D+01  0.134253D+01  0.836681D+01
               281           282           283           284           285 
      1  -0.873045D+01 -0.369031D+01 -0.724708D+01 -0.622432D+02 -0.304132D+02
      2   0.119954D+02  0.525289D+01  0.100830D+02  0.977304D+02  0.406789D+02
      3  -0.326490D+01 -0.156258D+01 -0.283596D+01 -0.354871D+02 -0.102656D+02
      4   0.148839D+02  0.991421D+01  0.731213D+01  0.262753D+02  0.100156D+02
      5   0.444387D+01  0.275800D+01  0.176548D+01 -0.108381D+01  0.582331D-01
      6   0.931118D+01  0.999829D+01  0.516474D+01  0.509699D+02  0.323805D+02
               286           287           288           289           290 
      1  -0.520240D+01 -0.330124D+02 -0.218475D+02  0.107827D+03  0.285124D+02
      2   0.113883D+02  0.460088D+02  0.268368D+02 -0.672036D+02 -0.156833D+02
      3  -0.618594D+01 -0.129964D+02 -0.498936D+01 -0.406231D+02 -0.128290D+02
      4   0.998204D+01  0.190305D+02  0.122448D+02  0.661217D+02  0.250348D+02
      5   0.168687D+01  0.206424D+01  0.328866D+01  0.585302D+02  0.148167D+02
      6   0.484432D+01  0.366404D+02  0.234344D+02  0.174822D+02  0.702970D+01
               291           292           293           294           295 
      1   0.391352D+02  0.683805D+01  0.153184D+02  0.444166D+01  0.380268D+02
      2  -0.289126D+02 -0.165497D+01 -0.550578D+01 -0.285775D+01 -0.230341D+02
      3  -0.102226D+02 -0.518308D+01 -0.981257D+01 -0.158391D+01 -0.149927D+02
      4   0.256058D+02  0.253069D+02  0.135092D+02  0.120644D+02  0.281399D+02
      5   0.330542D+02  0.122489D+02  0.592909D+01  0.814909D+01  0.257310D+02
      6   0.101383D+02  0.971030D+01  0.471150D+01  0.653375D+01  0.843307D+01
               296           297           298           299           300 
      1   0.753043D+01  0.169331D+02  0.648188D+00  0.562483D+01 -0.545352D+00
      2  -0.472444D+01 -0.124455D+02  0.495954D+01  0.158103D+01  0.128901D+01
      3  -0.280599D+01 -0.448760D+01 -0.560773D+01 -0.720586D+01 -0.743656D+00
      4   0.101647D+02  0.129567D+02  0.210698D+02  0.265351D+02  0.154724D+02
      5   0.105485D+02  0.163485D+02  0.994588D+01  0.133103D+02  0.107291D+02
      6   0.510024D+01  0.546769D+01  0.111746D+02  0.138335D+02  0.885689D+01
               301           302           303           304           305 
      1  -0.743963D+01 -0.351858D+02 -0.169341D+02 -0.641931D+01 -0.919591D+01
      2   0.197778D+02  0.553124D+02  0.214172D+02  0.859427D+01  0.214778D+02
      3  -0.123382D+02 -0.201266D+02 -0.448304D+01 -0.217496D+01 -0.122819D+02
      4   0.357065D+02  0.707415D+02  0.344337D+02  0.226315D+02  0.408870D+02
      5   0.126751D+02  0.272497D+02  0.173224D+02  0.123356D+02  0.147608D+02
      6   0.211470D+02  0.525517D+02  0.314126D+02  0.144738D+02  0.280026D+02
               306           307           308           309           310 
      1  -0.945788D+01  0.802187D+02 -0.451792D+02 -0.349322D+01 -0.438759D+02
      2   0.944462D+01 -0.301425D+02  0.144775D+02  0.208013D+01  0.717600D+01
      3   0.132581D-01 -0.500762D+02  0.307018D+02  0.141309D+01  0.366999D+02
      4   0.214320D+02 -0.783851D+02  0.524653D+02  0.143224D+01  0.684814D+02
      5   0.135919D+02 -0.106847D+02  0.220875D+01  0.818338D+01  0.102826D+02
      6   0.217840D+02 -0.123718D+01  0.182238D+01 -0.365862D+01 -0.150887D+01
               311           312           313           314           315 
      1   0.319582D+02  0.423600D+01 -0.517216D+01  0.249074D+01  0.211929D+01
      2   0.528763D+00 -0.199735D+01  0.619168D+00  0.122294D+01 -0.628856D+00
      3  -0.324870D+02 -0.223865D+01  0.455299D+01 -0.371368D+01 -0.149043D+01
      4  -0.614539D+02 -0.503407D+01  0.112146D+02 -0.117813D+02 -0.391739D+01
      5  -0.126316D+02 -0.708801D+01  0.697551D+01  0.869586D-01 -0.125722D+01
      6   0.252393D+01  0.431026D+01 -0.279823D+01  0.121453D+01  0.195100D+01
               316           317           318           319           320 
      1   0.168201D+03  0.834706D+01  0.319201D+02  0.202349D+02  0.106669D+02
      2  -0.103737D+03 -0.519649D+01 -0.223593D+02 -0.138500D+02 -0.695669D+01
      3  -0.644637D+02 -0.315057D+01 -0.956078D+01 -0.638491D+01 -0.371022D+01
      4   0.657431D+00  0.673374D+01 -0.129830D+01  0.195796D+02  0.502112D+01
      5   0.440308D+02  0.129343D+01  0.200113D+02  0.106582D+02  0.861619D+01
      6  -0.665757D+01  0.891674D+00 -0.231890D+01  0.205440D+01 -0.662619D+00
               321           322           323           324           325 
      1   0.692671D+01  0.446695D+02  0.419146D+01  0.129062D+02  0.172980D+02
      2  -0.554370D+01 -0.302360D+02 -0.136914D+01 -0.951765D+01  0.139608D+02
      3  -0.138301D+01 -0.144335D+02 -0.282232D+01 -0.338854D+01 -0.312589D+02
      4   0.408342D+01  0.325748D+01  0.168769D+01  0.497971D+00 -0.701624D+02
      5   0.455503D+01  0.167744D+02 -0.392856D+01  0.799166D+01 -0.157746D+02
      6   0.121821D+01 -0.112218D+01  0.217480D+01  0.501860D+00  0.116426D+02
               326           327           328           329           330 
      1  -0.631329D+01 -0.300096D+01  0.450712D+01 -0.914475D+01 -0.236359D+01
      2  -0.231580D+02 -0.282149D+01 -0.288600D+02  0.429341D+02  0.814851D+01
      3   0.294713D+02  0.582245D+01  0.243529D+02 -0.337893D+02 -0.578492D+01
      4   0.641848D+02  0.167033D+02  0.533199D+02 -0.693598D+02 -0.173334D+02
      5   0.158679D+02  0.987897D+01  0.149869D+02 -0.138209D+02 -0.841447D+01
      6  -0.129588D+02 -0.849831D+01 -0.153647D+02  0.169480D+02  0.111259D+02
               331           332           333           334           335 
      1   0.321856D+00 -0.623646D+00  0.978732D-01 -0.749157D+01 -0.165542D+02
      2  -0.942691D+01  0.602901D+01  0.336075D+01  0.112540D+02  0.222887D+02
      3   0.910506D+01 -0.540537D+01 -0.345862D+01 -0.376242D+01 -0.573447D+01
      4   0.164697D+02 -0.169359D+02 -0.743128D+01  0.392941D+01  0.170091D+02
      5   0.537358D+01 -0.741882D+01 -0.463737D+01 -0.145537D+01  0.253712D+01
      6  -0.323318D+01  0.961481D+01  0.420708D+01  0.442048D+01  0.706886D+01
               336           337           338           339           340 
      1  -0.412210D+01 -0.280513D+01 -0.895937D+02 -0.244617D+02 -0.219589D+00
      2   0.488901D+01  0.275553D+01  0.133923D+03  0.317303D+02  0.221911D+01
      3  -0.766907D+00  0.495940D-01 -0.443296D+02 -0.726867D+01 -0.199952D+01
      4   0.340332D+01  0.613621D+01 -0.140999D+02 -0.394719D+01 -0.180436D+00
      5   0.248819D+01  0.106474D+01 -0.666563D+01 -0.340463D+01  0.361270D+01
      6   0.341378D+01  0.230103D+01  0.505271D+02  0.223321D+02 -0.286052D+01
               341           342           343           344           345 
      1  -0.302283D+02 -0.104252D+02 -0.333709D+01 -0.647727D+01 -0.135236D+01
      2   0.441730D+02  0.129105D+02  0.122840D+02  0.188552D+02  0.379148D+01
      3  -0.139447D+02 -0.248525D+01 -0.894695D+01 -0.123779D+02 -0.243912D+01
      4  -0.797559D+01 -0.133058D+01  0.151852D+02  0.269788D+02  0.626896D+01
      5  -0.908186D+00 -0.473308D+00  0.190899D+01  0.533185D+01  0.400851D+01
      6   0.184273D+02  0.111185D+02  0.474679D+01  0.441415D+01  0.287158D+01
               346           347           348           349           350 
      1  -0.158863D+02 -0.599159D+02 -0.154509D+02 -0.384547D+01 -0.211328D+02
      2   0.301045D+02  0.102769D+03  0.230872D+02  0.615706D+01  0.317277D+02
      3  -0.142182D+02 -0.428529D+02 -0.763629D+01 -0.231159D+01 -0.105949D+02
      4   0.230042D+02  0.549450D+02  0.146429D+02  0.717849D+01  0.162212D+02
      5   0.658731D+01  0.139337D+02  0.592708D+01  0.177580D+01  0.547544D+01
      6   0.100849D+02  0.297518D+02  0.162259D+02  0.483733D+01  0.158841D+02
               351           352           353           354           355 
      1  -0.909475D+01  0.522633D+02  0.214057D+02 -0.140338D+01  0.107443D+02
      2   0.120206D+02 -0.138655D+02 -0.136227D+00  0.794105D+00  0.526663D+01
      3  -0.292582D+01 -0.383978D+02 -0.212695D+02  0.609274D+00 -0.160109D+02
      4   0.601666D+01  0.748525D+02  0.441188D+02 -0.221036D+01  0.334171D+02
      5   0.328120D+01 -0.362817D+01 -0.132855D+01  0.720936D+01  0.203578D+01
      6   0.888214D+01 -0.590494D+01 -0.377290D+01  0.496259D+01  0.937887D+00
               356           357           358           359           360 
      1   0.636198D+01  0.550373D+00 -0.287616D+01 -0.107299D+01  0.223740D+01
      2   0.737123D+01  0.123801D+00  0.419759D+01  0.270639D+01 -0.803759D+00
      3  -0.137332D+02 -0.674173D+00 -0.132144D+01 -0.163340D+01 -0.143364D+01
      4   0.279901D+02  0.198037D+01  0.150318D+01  0.436809D+01  0.346784D+01
      5   0.167013D+01  0.262998D+01  0.278903D+01  0.221263D+01  0.141919D+01
      6  -0.133046D+01  0.187469D+01  0.112678D+01  0.175430D+01  0.920098D+00
               361           362           363           364           365 
      1   0.127025D+03 -0.149038D+02 -0.233322D+02 -0.834445D+01  0.186971D+02
      2  -0.738756D+02  0.786793D+01  0.175123D+02  0.224298D+01 -0.133578D+02
      3  -0.531497D+02  0.703587D+01  0.581990D+01  0.610147D+01 -0.533923D+01
      4  -0.156181D+02  0.309706D+02  0.768201D+01  0.698926D+02 -0.196701D+02
      5  -0.452246D+02  0.992613D+01  0.400043D+02  0.114123D+01 -0.267445D+02
      6   0.237572D+01 -0.965397D+01 -0.136856D+01 -0.257318D+02  0.533334D+01
               366           367           368           369           370 
      1  -0.184626D+00  0.681408D+01  0.262518D+01  0.127943D+01 -0.452219D+01
      2  -0.411781D+01  0.188566D+02 -0.407363D+01 -0.459402D+02  0.296655D+01
      3   0.430243D+01 -0.256706D+02  0.144845D+01  0.446608D+02  0.155564D+01
      4  -0.277171D+02  0.115869D+02 -0.124621D+02 -0.304866D+01 -0.148963D+01
      5  -0.106392D+02  0.624223D+02 -0.112515D+02 -0.545691D+02  0.498542D+01
      6   0.253784D+02 -0.124624D+01  0.171005D+02 -0.479644D+01  0.561532D+00
               371           372           373           374           375 
      1  -0.128947D+01  0.130831D+01 -0.408109D+01 -0.538360D+01 -0.139762D+01
      2  -0.102893D+01 -0.195470D+01  0.302581D+01 -0.169350D+01 -0.393686D+01
      3   0.231840D+01  0.646387D+00  0.105528D+01  0.707710D+01  0.533448D+01
      4  -0.594279D+00  0.702727D+00 -0.235095D+00 -0.247835D+01 -0.120802D+01
      5   0.397622D+01 -0.152242D+01  0.362699D+01  0.375182D+01 -0.272288D+01
      6  -0.888106D+00 -0.259889D+00 -0.668830D-01  0.109421D+01  0.101988D+01
               376           377           378 
      1  -0.777786D+00 -0.375700D+00 -0.336334D+01
      2   0.111564D+01 -0.302961D+01 -0.176147D+01
      3  -0.337858D+00  0.340531D+01  0.512481D+01
      4   0.643420D+00 -0.132526D+01 -0.738895D+00
      5   0.157037D+01 -0.320394D-01 -0.795942D+00
      6  -0.969857D+00  0.895475D+00  0.203339D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x         -0.557213D+00     -0.141629D+01     -0.472425D+01
   y          0.219256D+00      0.557294D+00      0.185893D+01
   z          0.303060D+00      0.770301D+00      0.256945D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.408147D+03      0.604811D+02      0.672943D+02
   yx        -0.187080D+02     -0.277224D+01     -0.308454D+01
   yy         0.373843D+03      0.553977D+02      0.616383D+02
   zx         0.412699D+02      0.611557D+01      0.680449D+01
   zy         0.443260D+02      0.656844D+01      0.730837D+01
   zz         0.221767D+03      0.328624D+02      0.365644D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.382520D+03      0.566836D+02      0.630691D+02
   aniso      0.237350D+03      0.351717D+02      0.391338D+02
   xx         0.466503D+03      0.691286D+02      0.769160D+02
   yx        -0.185640D+02     -0.275090D+01     -0.306079D+01
   yy         0.435059D+03      0.644692D+02      0.717316D+02
   zx         0.493160D+02      0.730788D+01      0.813112D+01
   zy         0.421400D+02      0.624450D+01      0.694795D+01
   zz         0.245998D+03      0.364531D+02      0.405596D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     1          2.79196355         -1.07561988          3.00987757
     6          3.05784515         -2.12078621          1.28108022
     6          5.45194560         -2.35788217          0.30595923
     1          7.02734984         -1.48296848          1.27275286
     6          5.86551080         -3.73053220         -1.92546961
     1          7.74848324         -3.87224434         -2.71019780
     6          3.87669022         -4.94926378         -3.05876068
     1          4.17624459         -6.09477732         -4.72815843
     6          1.41396040         -4.78932325         -2.05347930
     6         -0.58772633         -6.26479260         -3.08557277
     6          0.94911290         -3.23468306          0.08904140
     6         -1.61142676         -2.97757134          1.02531161
     6         -3.40825362         -4.77294159          0.19959592
     6         -2.86791259         -6.34477666         -1.92257656
     6         -2.40145093         -1.11972869          2.86239486
     6         -4.52302692         -1.72735784          4.39124992
     6         -6.16761156         -3.71814195          3.66677280
     6         -5.71980214         -5.06798089          1.52804964
     6         -1.22947064          1.31178496          3.27042409
     6         -1.59558337          2.51608215          5.62652975
     6         -3.46051330          1.60208278          7.32454918
     6         -4.99502516         -0.33897283          6.63735252
     6          0.14865252          2.70130888          1.35547254
     6         -0.15283189          4.69992337          6.26939006
     6          1.47301235          5.75907498          4.59693573
     6          1.59578768          4.85025624          2.06739599
     6          3.04307702          6.12620211          0.22849615
     6          3.00462731          5.41167392         -2.26362180
     6          1.42300841          3.40876644         -2.97113203
     6          0.01814327          2.09614859         -1.23730961
     1         -0.21096727         -7.41452969         -4.73578272
     1         -4.33981436         -7.59839982         -2.59343647
     1         -7.82408809         -4.08134985          4.81174185
     1         -7.04715820         -6.48538651          0.88337884
     1         -3.72768538          2.57382651          9.10510582
     1         -6.56224655         -0.90835616          7.82346483
     1         -0.38419493          5.49018032          8.14283608
     1          2.60437713          7.38289880          5.11657778
     1          4.17580845          7.72849596          0.81014142
     1          4.11667413          6.39461279         -3.66514844
    35          1.23001063          2.48674964         -6.45484439
     1         -1.19958258          0.59600273         -1.87213581

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.671122D+00      0.170582D+01      0.569001D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.671122D+00      0.170582D+01      0.569001D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.334585D+03      0.495804D+02      0.551657D+02
   aniso      0.203899D+03      0.302147D+02      0.336184D+02
   xx         0.324536D+03      0.480913D+02      0.535088D+02
   yx         0.655757D+02      0.971731D+01      0.108120D+02
   yy         0.320459D+03      0.474871D+02      0.528366D+02
   zx        -0.751796D+02     -0.111405D+02     -0.123954D+02
   zy         0.588522D+02      0.872100D+01      0.970342D+01
   zz         0.358761D+03      0.531629D+02      0.591517D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.382520D+03      0.566836D+02      0.630691D+02
   aniso      0.237350D+03      0.351717D+02      0.391338D+02
   xx         0.365834D+03      0.542110D+02      0.603179D+02
   yx         0.737224D+02      0.109245D+02      0.121552D+02
   yy         0.378019D+03      0.560167D+02      0.623269D+02
   zx        -0.922132D+02     -0.136646D+02     -0.152039D+02
   zy         0.668308D+02      0.990330D+01      0.110189D+02
   zz         0.403707D+03      0.598232D+02      0.665623D+02

 ----------------------------------------------------------------------
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 00340,-0.00000001,0.00000405,0.00001070,0.00000087,-0.00001045,-0.0000
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 02088,0.00000269,0.00000059,0.00000062,0.00000215,0.00000010,-0.000001
 83,0.00000121,0.00000106,0.00000014,0.00000110,0.00000094,0.00000071,-
 0.00000002,0.00000062,-0.00000076,-0.00000067,-0.00000138,0.00000017,-
 0.00000235,0.00000032,-0.00000098,-0.00000231,0.00000253,-0.00000041,-
 0.00000078,0.00000136,0.00000001,-0.00000146,0.00000196,-0.00000031,0.
 00000800,0.00001076,0.00000330,-0.00000941,-0.00003891,0.00001251\\\@


 NOTHING WILL BE ATTEMPTED IF ALL POSSIBLE OBJECTIONS
 MUST FIRST BE OVERCOME.

                               -- THE GOLDEN PRINCIPLE,
                    PAUL DICKSON'S "THE OFFICIAL RULES"
 Job cpu time:       3 days 13 hours 23 minutes 27.1 seconds.
 Elapsed time:       0 days 10 hours 43 minutes 45.8 seconds.
 File lengths (MBytes):  RWF=   1827 Int=      0 D2E=      0 Chk=     60 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 23:53:52 2021.
